2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine

C17H14N6 — CID 50952646

IUPAC2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine
SMILESCc1nc(-c2ccc(-c3ccn[nH]3)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C17H14N6/c1-12-20-17(23(22-12)16-4-2-3-10-18-16)14-7-5-13(6-8-14)15-9-11-19-21-15/h2-11H,1H3,(H,19,21)
InChIKeyZXADOGYRRHJMKE-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.03
Rot. Bonds3

About 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine

2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine (PubChem CID 50952646) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine
PubChem CID50952646
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine
SMILESCc1nc(-c2ccc(-c3ccn[nH]3)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C17H14N6/c1-12-20-17(23(22-12)16-4-2-3-10-18-16)14-7-5-13(6-8-14)15-9-11-19-21-15/h2-11H,1H3,(H,19,21)
InChIKeyZXADOGYRRHJMKE-UHFFFAOYSA-N
XLogP3.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine (CID 50952646) is 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine is Cc1nc(-c2ccc(-c3ccn[nH]3)cc2)n(-c2ccccn2)n1.
What is the InChIKey of 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine?
The InChIKey is ZXADOGYRRHJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-12-20-17(23(22-12)16-4-2-3-10-18-16)14-7-5-13(6-8-14)15-9-11-19-21-15/h2-11H,1H3,(H,19,21).
What are the key properties of 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine?
2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine has a molecular weight of 302.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50952646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).