3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol

C13H16N4O — CID 82557260

IUPAC3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
SMILESCC1CC(c2cccc(O)c2)Cn2nc(N)nc21
InChIInChI=1S/C13H16N4O/c1-8-5-10(9-3-2-4-11(18)6-9)7-17-12(8)15-13(14)16-17/h2-4,6,8,10,18H,5,7H2,1H3,(H2,14,16)
InChIKeySGWNSBBBZGTEEX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.86
Rot. Bonds1

About 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol

3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol (PubChem CID 82557260) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol.

Molecular Properties

Compound Name3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
PubChem CID82557260
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
SMILESCC1CC(c2cccc(O)c2)Cn2nc(N)nc21
InChIInChI=1S/C13H16N4O/c1-8-5-10(9-3-2-4-11(18)6-9)7-17-12(8)15-13(14)16-17/h2-4,6,8,10,18H,5,7H2,1H3,(H2,14,16)
InChIKeySGWNSBBBZGTEEX-UHFFFAOYSA-N
XLogP1.86
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The IUPAC name of 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol (CID 82557260) is 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol.
What is the SMILES notation for 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The canonical SMILES for 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol is CC1CC(c2cccc(O)c2)Cn2nc(N)nc21.
What is the InChIKey of 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The InChIKey is SGWNSBBBZGTEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-5-10(9-3-2-4-11(18)6-9)7-17-12(8)15-13(14)16-17/h2-4,6,8,10,18H,5,7H2,1H3,(H2,14,16).
What are the key properties of 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol has a molecular weight of 244.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol is sourced from PubChem (CID 82557260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).