1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C11H11N5O — CID 94830242

IUPAC1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2c(CN)nnc12
InChIInChI=1S/C11H11N5O/c1-15-10(17)7-4-2-3-5-8(7)16-9(6-12)13-14-11(15)16/h2-5H,6,12H2,1H3
InChIKeyBHQIGILBOMKRDQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.04
Rot. Bonds1

About 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 94830242) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID94830242
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2c(CN)nnc12
InChIInChI=1S/C11H11N5O/c1-15-10(17)7-4-2-3-5-8(7)16-9(6-12)13-14-11(15)16/h2-5H,6,12H2,1H3
InChIKeyBHQIGILBOMKRDQ-UHFFFAOYSA-N
XLogP0.04
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 94830242) is 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cn1c(=O)c2ccccc2n2c(CN)nnc12.
What is the InChIKey of 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is BHQIGILBOMKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-15-10(17)7-4-2-3-5-8(7)16-9(6-12)13-14-11(15)16/h2-5H,6,12H2,1H3.
What are the key properties of 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 229.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 94830242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).