2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C21H24N6O2 — CID 146072133

IUPAC2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCc2cnccn2)c1
InChIInChI=1S/C21H24N6O2/c1-14-5-6-15(2)16(10-14)13-27-21(29)26-9-3-4-18(19(26)25-27)20(28)24-12-17-11-22-7-8-23-17/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3,(H,24,28)
InChIKeyMQWWJUIKDSVGDS-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.69
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 146072133) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID146072133
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCc2cnccn2)c1
InChIInChI=1S/C21H24N6O2/c1-14-5-6-15(2)16(10-14)13-27-21(29)26-9-3-4-18(19(26)25-27)20(28)24-12-17-11-22-7-8-23-17/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3,(H,24,28)
InChIKeyMQWWJUIKDSVGDS-UHFFFAOYSA-N
XLogP1.69
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 146072133) is 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCc2cnccn2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is MQWWJUIKDSVGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-5-6-15(2)16(10-14)13-27-21(29)26-9-3-4-18(19(26)25-27)20(28)24-12-17-11-22-7-8-23-17/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3,(H,24,28).
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 146072133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).