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

C16H17N5O2 — CID 177042678

IUPAC7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)c(N)c(-c3c(C)ccc(O)c3C)cn2n1
InChIInChI=1S/C16H17N5O2/c1-7-4-5-11(22)8(2)12(7)10-6-21-16(19-9(3)20-21)13(14(10)17)15(18)23/h4-6,22H,17H2,1-3H3,(H2,18,23)
InChIKeySELVBKANJUZIEZ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.71
Rot. Bonds2

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

7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042678) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID177042678
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)c(N)c(-c3c(C)ccc(O)c3C)cn2n1
InChIInChI=1S/C16H17N5O2/c1-7-4-5-11(22)8(2)12(7)10-6-21-16(19-9(3)20-21)13(14(10)17)15(18)23/h4-6,22H,17H2,1-3H3,(H2,18,23)
InChIKeySELVBKANJUZIEZ-UHFFFAOYSA-N
XLogP1.71
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042678) is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1nc2c(C(N)=O)c(N)c(-c3c(C)ccc(O)c3C)cn2n1.
What is the InChIKey of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is SELVBKANJUZIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-7-4-5-11(22)8(2)12(7)10-6-21-16(19-9(3)20-21)13(14(10)17)15(18)23/h4-6,22H,17H2,1-3H3,(H2,18,23).
What are the key properties of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).