5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one supplier

Name
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 5-methyl- (9CI)
EINECS
CAS No. 529508-54-1
Article Data5
CAS DataBase
Density 1.424 g/cm³
Solubility
Melting Point
Formula C₇H₇N₃O
Boiling Point
Molecular Weight 149.15
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;
PSA 50.16000
LogP 0.33100

5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one Specification

The 5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, with the CAS registry number 529508-54-1, is also known as 5-Methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one. This chemical's molecular formula is C₇H₇N₃O and molecular weight is 149.15. What's more, its systematic name is 5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one.

Physical properties of 5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one are: (1)ACD/LogP: 0.164; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 29.19; (8)ACD/KOC (pH 7.4): 25.19; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.39 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 40.434 cm³; (15)Molar Volume: 104.717 cm³; (16)Polarizability: 16.029×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.424 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N\C=N/n2ccc(C)c12
(2)Std. InChI: InChI=1S/C7H7N3O/c1-5-2-3-10-6(5)7(11)8-4-9-10/h2-4H,1H3,(H,8,9,11)
(3)Std. InChIKey: AEDCOWYMDRVJLG-UHFFFAOYSA-N

Product Name

Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 5-methyl- (9CI)

5-Methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one Specification

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