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

C13H16N4O — CID 82557398

IUPAC2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
SMILESCC1C(c2ccccc2O)CCc2nc(N)nn21
InChIInChI=1S/C13H16N4O/c1-8-9(10-4-2-3-5-11(10)18)6-7-12-15-13(14)16-17(8)12/h2-5,8-9,18H,6-7H2,1H3,(H2,14,16)
InChIKeyLNIDRQMZIUEFNR-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.86
Rot. Bonds1

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

2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol (PubChem CID 82557398) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol.

Molecular Properties

Compound Name2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
PubChem CID82557398
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
SMILESCC1C(c2ccccc2O)CCc2nc(N)nn21
InChIInChI=1S/C13H16N4O/c1-8-9(10-4-2-3-5-11(10)18)6-7-12-15-13(14)16-17(8)12/h2-5,8-9,18H,6-7H2,1H3,(H2,14,16)
InChIKeyLNIDRQMZIUEFNR-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 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol with MolForge

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Related Compounds

6-(2-methoxy-5-methylphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557409
2-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
CID 82557330
6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557406
2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
CID 82557730
5-(2-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557197
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
CID 82557193
6-quinolin-8-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557151
2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557620
ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
CID 110455841
N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide
CID 110455809
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The IUPAC name of 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol (CID 82557398) is 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol.
What is the SMILES notation for 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The canonical SMILES for 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol is CC1C(c2ccccc2O)CCc2nc(N)nn21.
What is the InChIKey of 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The InChIKey is LNIDRQMZIUEFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-9(10-4-2-3-5-11(10)18)6-7-12-15-13(14)16-17(8)12/h2-5,8-9,18H,6-7H2,1H3,(H2,14,16).
What are the key properties of 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
2-(2-amino-5-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 2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol is sourced from PubChem (CID 82557398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).