7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C7H7N3O — CID 135601401

IUPAC7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1ccc2c(=O)[nH]cnn12
InChIInChI=1S/C7H7N3O/c1-5-2-3-6-7(11)8-4-9-10(5)6/h2-4H,1H3,(H,8,9,11)
InChIKeyVAYOXAODPYGTEF-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.33
Rot. Bonds

About 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135601401) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135601401
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1ccc2c(=O)[nH]cnn12
InChIInChI=1S/C7H7N3O/c1-5-2-3-6-7(11)8-4-9-10(5)6/h2-4H,1H3,(H,8,9,11)
InChIKeyVAYOXAODPYGTEF-UHFFFAOYSA-N
XLogP0.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
1H,2H-pyrrolo(1,2-a)pyrazin-1-one
CID 15662088
3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135488218
N-Isopropyl-1,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40076165
2-Chloro-1H,4H-pyrrolo(2,1-f)(1,2,4)triazin-4-one
CID 135742087
2-Aminopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
CID 135410170
N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 9550722
6-methyl-3H,4H,5H-pyrrolo(3,2-d)pyrimidin-4-one
CID 135703670
6-Iodopyrrolo[2,1-F][1,2,4]triazin-4(1H)-one
CID 135742057
7-bromo-3H,4H-pyrrolo(2,1-f)(1,2,4)triazin-4-one
CID 135742061
6-Bromopyrrolo[2,1-f][1,2,4]triazin-4-ol
CID 135742062
5-Bromopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CID 135742063

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135601401) is 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1ccc2c(=O)[nH]cnn12.
What is the InChIKey of 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is VAYOXAODPYGTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5-2-3-6-7(11)8-4-9-10(5)6/h2-4H,1H3,(H,8,9,11).
What are the key properties of 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 149.15 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135601401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).