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

C19H17N7O2 — CID 177042708

IUPAC7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(-c3ccnnc3)nc2c(C(N)=O)c1N
InChIInChI=1S/C19H17N7O2/c1-9-3-4-13(27)10(2)14(9)12-8-26-19(15(16(12)20)17(21)28)24-18(25-26)11-5-6-22-23-7-11/h3-8,27H,20H2,1-2H3,(H2,21,28)
InChIKeyIFLVVLBAVQOOBP-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.86
Rot. Bonds3

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

7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042708) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID177042708
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(-c3ccnnc3)nc2c(C(N)=O)c1N
InChIInChI=1S/C19H17N7O2/c1-9-3-4-13(27)10(2)14(9)12-8-26-19(15(16(12)20)17(21)28)24-18(25-26)11-5-6-22-23-7-11/h3-8,27H,20H2,1-2H3,(H2,21,28)
InChIKeyIFLVVLBAVQOOBP-UHFFFAOYSA-N
XLogP1.86
TPSA145.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042708) is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[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-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2nc(-c3ccnnc3)nc2c(C(N)=O)c1N.
What is the InChIKey of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is IFLVVLBAVQOOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-9-3-4-13(27)10(2)14(9)12-8-26-19(15(16(12)20)17(21)28)24-18(25-26)11-5-6-22-23-7-11/h3-8,27H,20H2,1-2H3,(H2,21,28).
What are the key properties of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-pyridazin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).