4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

C13H12N4O — CID 137006635

IUPAC4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESNCc1cccn2c(-c3ccc(O)cc3)nnc12
InChIInChI=1S/C13H12N4O/c14-8-10-2-1-7-17-12(15-16-13(10)17)9-3-5-11(18)6-4-9/h1-7,18H,8,14H2
InChIKeyXECXSMHHVFWCCW-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.56
Rot. Bonds2

About 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 137006635) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID137006635
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESNCc1cccn2c(-c3ccc(O)cc3)nnc12
InChIInChI=1S/C13H12N4O/c14-8-10-2-1-7-17-12(15-16-13(10)17)9-3-5-11(18)6-4-9/h1-7,18H,8,14H2
InChIKeyXECXSMHHVFWCCW-UHFFFAOYSA-N
XLogP1.56
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
CID 82054849
[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145864
[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145868
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 137006529
[3-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]methanamine
CID 82059842
4-[[8-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]methyl]phenol
CID 117145848
[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145664
[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145672
ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 58137767
(1-methyl-3-phenylimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83842559
4-(8-aminoimidazo[1,5-a]pyridin-3-yl)phenol
CID 137006649

Frequently Asked Questions

What is the IUPAC name of 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 137006635) is 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is NCc1cccn2c(-c3ccc(O)cc3)nnc12.
What is the InChIKey of 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is XECXSMHHVFWCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-8-10-2-1-7-17-12(15-16-13(10)17)9-3-5-11(18)6-4-9/h1-7,18H,8,14H2.
What are the key properties of 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 240.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 137006635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).