4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide

C17H12N8O — CID 176858566

IUPAC4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccn2)n1)c1nncn1-c1ccccn1
InChIInChI=1S/C17H12N8O/c26-17(16-24-21-11-25(16)14-6-2-4-9-19-14)23-13-7-10-20-15(22-13)12-5-1-3-8-18-12/h1-11H,(H,20,22,23,26)
InChIKeyWOZGKZVLXFXJJI-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.77
Rot. Bonds4

About 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide

4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 176858566) has the molecular formula C17H12N8O and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide
PubChem CID176858566
Molecular FormulaC17H12N8O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccn2)n1)c1nncn1-c1ccccn1
InChIInChI=1S/C17H12N8O/c26-17(16-24-21-11-25(16)14-6-2-4-9-19-14)23-13-7-10-20-15(22-13)12-5-1-3-8-18-12/h1-11H,(H,20,22,23,26)
InChIKeyWOZGKZVLXFXJJI-UHFFFAOYSA-N
XLogP1.77
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide (CID 176858566) is 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide is O=C(Nc1ccnc(-c2ccccn2)n1)c1nncn1-c1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WOZGKZVLXFXJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8O/c26-17(16-24-21-11-25(16)14-6-2-4-9-19-14)23-13-7-10-20-15(22-13)12-5-1-3-8-18-12/h1-11H,(H,20,22,23,26).
What are the key properties of 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide?
4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 176858566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).