7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C15H14ClN5O2 — CID 177042704

IUPAC7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(Cl)nc2c(C(N)=O)c1N
InChIInChI=1S/C15H14ClN5O2/c1-6-3-4-9(22)7(2)10(6)8-5-21-14(19-15(16)20-21)11(12(8)17)13(18)23/h3-5,22H,17H2,1-2H3,(H2,18,23)
InChIKeyJXASTWNRWSTNGG-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.05
Rot. Bonds2

About 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042704) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID177042704
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(Cl)nc2c(C(N)=O)c1N
InChIInChI=1S/C15H14ClN5O2/c1-6-3-4-9(22)7(2)10(6)8-5-21-14(19-15(16)20-21)11(12(8)17)13(18)23/h3-5,22H,17H2,1-2H3,(H2,18,23)
InChIKeyJXASTWNRWSTNGG-UHFFFAOYSA-N
XLogP2.05
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042704) is 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2nc(Cl)nc2c(C(N)=O)c1N.
What is the InChIKey of 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is JXASTWNRWSTNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-6-3-4-9(22)7(2)10(6)8-5-21-14(19-15(16)20-21)11(12(8)17)13(18)23/h3-5,22H,17H2,1-2H3,(H2,18,23).
What are the key properties of 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).