4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C14H13N5O — CID 61274777

IUPAC4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2nnc3ccccn23)cc1
InChIInChI=1S/C14H13N5O/c15-11-6-4-10(5-7-11)14(20)16-9-13-18-17-12-3-1-2-8-19(12)13/h1-8H,9,15H2,(H,16,20)
InChIKeySCOXBEFXXUKLBB-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.24
Rot. Bonds3

About 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 61274777) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID61274777
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2nnc3ccccn23)cc1
InChIInChI=1S/C14H13N5O/c15-11-6-4-10(5-7-11)14(20)16-9-13-18-17-12-3-1-2-8-19(12)13/h1-8H,9,15H2,(H,16,20)
InChIKeySCOXBEFXXUKLBB-UHFFFAOYSA-N
XLogP1.24
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688186
4-tert-butyl-N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 17465781
2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114326281
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
tert-butyl N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]carbamate
CID 9474241

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 61274777) is 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is Nc1ccc(C(=O)NCc2nnc3ccccn23)cc1.
What is the InChIKey of 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is SCOXBEFXXUKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-11-6-4-10(5-7-11)14(20)16-9-13-18-17-12-3-1-2-8-19(12)13/h1-8H,9,15H2,(H,16,20).
What are the key properties of 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 267.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 61274777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).