2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine

C17H22N6 — CID 50955091

IUPAC2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine
SMILESCCC(c1nc(CC(C)C)nn1-c1ccccn1)n1cccn1
InChIInChI=1S/C17H22N6/c1-4-14(22-11-7-10-19-22)17-20-15(12-13(2)3)21-23(17)16-8-5-6-9-18-16/h5-11,13-14H,4,12H2,1-3H3
InChIKeyAHNYKSNMHXRDDB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.06
Rot. Bonds6

About 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine

2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 50955091) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID50955091
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine
SMILESCCC(c1nc(CC(C)C)nn1-c1ccccn1)n1cccn1
InChIInChI=1S/C17H22N6/c1-4-14(22-11-7-10-19-22)17-20-15(12-13(2)3)21-23(17)16-8-5-6-9-18-16/h5-11,13-14H,4,12H2,1-3H3
InChIKeyAHNYKSNMHXRDDB-UHFFFAOYSA-N
XLogP3.06
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine (CID 50955091) is 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine is CCC(c1nc(CC(C)C)nn1-c1ccccn1)n1cccn1.
What is the InChIKey of 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is AHNYKSNMHXRDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-4-14(22-11-7-10-19-22)17-20-15(12-13(2)3)21-23(17)16-8-5-6-9-18-16/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine?
2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 310.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50955091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).