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

C13H12N4O — CID 117146993

IUPAC2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESNc1cccn2c(Cc3ccccc3O)nnc12
InChIInChI=1S/C13H12N4O/c14-10-5-3-7-17-12(15-16-13(10)17)8-9-4-1-2-6-11(9)18/h1-7,18H,8,14H2
InChIKeySHDQIOFXOYMWGT-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.61
Rot. Bonds2

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

2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (PubChem CID 117146993) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
PubChem CID117146993
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESNc1cccn2c(Cc3ccccc3O)nnc12
InChIInChI=1S/C13H12N4O/c14-10-5-3-7-17-12(15-16-13(10)17)8-9-4-1-2-6-11(9)18/h1-7,18H,8,14H2
InChIKeySHDQIOFXOYMWGT-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146975
2-[(8-aminoimidazo[1,5-a]pyridin-3-yl)methyl]phenol
CID 117146983
(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257434
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147016
3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117158565
2-(imidazo[1,5-a]pyridin-3-ylmethyl)phenol
CID 117139622
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanimidamide
CID 83881576
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411

Frequently Asked Questions

What is the IUPAC name of 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The IUPAC name of 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (CID 117146993) is 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is Nc1cccn2c(Cc3ccccc3O)nnc12.
What is the InChIKey of 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The InChIKey is SHDQIOFXOYMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-10-5-3-7-17-12(15-16-13(10)17)8-9-4-1-2-6-11(9)18/h1-7,18H,8,14H2.
What are the key properties of 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol has a molecular weight of 240.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 117146993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).