2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H13N5O — CID 62893991

IUPAC2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCc1ncccc1Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H13N5O/c14-8-11-10(4-3-6-15-11)9-18-13(19)17-7-2-1-5-12(17)16-18/h1-7H,8-9,14H2
InChIKeyFOMZFTJAXKCZTF-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.40
Rot. Bonds3

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

2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62893991) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62893991
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCc1ncccc1Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H13N5O/c14-8-11-10(4-3-6-15-11)9-18-13(19)17-7-2-1-5-12(17)16-18/h1-7H,8-9,14H2
InChIKeyFOMZFTJAXKCZTF-UHFFFAOYSA-N
XLogP0.40
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-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 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62893991) is 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is NCc1ncccc1Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FOMZFTJAXKCZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-8-11-10(4-3-6-15-11)9-18-13(19)17-7-2-1-5-12(17)16-18/h1-7H,8-9,14H2.
What are the key properties of 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 255.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62893991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).