4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine

C16H16N4 — CID 126515167

IUPAC4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCCCc1ccc(-n2cnnc2-c2ccncc2)cc1
InChIInChI=1S/C16H16N4/c1-2-3-13-4-6-15(7-5-13)20-12-18-19-16(20)14-8-10-17-11-9-14/h4-12H,2-3H2,1H3
InChIKeyJJQAEJQJCLGKOG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.28
Rot. Bonds4

About 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine

4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 126515167) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID126515167
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCCCc1ccc(-n2cnnc2-c2ccncc2)cc1
InChIInChI=1S/C16H16N4/c1-2-3-13-4-6-15(7-5-13)20-12-18-19-16(20)14-8-10-17-11-9-14/h4-12H,2-3H2,1H3
InChIKeyJJQAEJQJCLGKOG-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine (CID 126515167) is 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine is CCCc1ccc(-n2cnnc2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is JJQAEJQJCLGKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-3-13-4-6-15(7-5-13)20-12-18-19-16(20)14-8-10-17-11-9-14/h4-12H,2-3H2,1H3.
What are the key properties of 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine?
4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 264.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 126515167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).