(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol supplier

Name
(5,7-dimethyl-3H-8lambda~5~-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
EINECS
CAS No. 54535-00-1
Article Data11
CAS DataBase
Density 1.428 g/cm³
Solubility
Melting Point
Formula C₈H₁₀N₄O
Boiling Point
Molecular Weight 178.19
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Hydroxymethyl)-5,7-dimethyl-2,4-triazolo[1,5-a]pyrimidine;[1,2,4]Triazolo[1,5-a]pyrimidine-2-methanol, 5,7-dimethyl-;
PSA 65.90000
LogP -0.34750

(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol Specification

(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol is an organic compound with the formula C₈H₁₀N₄O, and its systematic name is the same with the product name. With the CAS registry number 54535-00-1, it is also named as [1,2,4]Triazolo[1,5-a]pyrimidine-2-methanol, 5,7-dimethyl-. In addition, the molecular weight is 260.16.

Physical properties of (5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol are: (1)ACD/LogP: -0.179; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 19.03; (8)ACD/KOC (pH 7.4): 19.04; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.31 Å²; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 47.912 cm³; (15)Molar Volume: 124.772 cm³; (16)Polarizability: 18.994×10^-24cm³; (17)Surface Tension: 53.64 dyne/cm; (18)Density: 1.428 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCN(c1ccc(cc1)C(=O)C)CCCl
(2)Std. InChI: InChI=1S/C12H15Cl2NO/c1-10(16)11-2-4-12(5-3-11)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3
(3)Std. InChIKey: KWFNQPQHPUCUAI-UHFFFAOYSA-N

Product Name

(5,7-dimethyl-3H-8lambda~5~-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol

(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol Specification

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