4-(4-propylphenyl)-1,2,4-triazole

C11H13N3 — CID 164877919

IUPAC4-(4-propylphenyl)-1,2,4-triazole
SMILESCCCc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C11H13N3/c1-2-3-10-4-6-11(7-5-10)14-8-12-13-9-14/h4-9H,2-3H2,1H3
InChIKeySYVSZPDGNSWZIX-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.22
Rot. Bonds3

About 4-(4-propylphenyl)-1,2,4-triazole

4-(4-propylphenyl)-1,2,4-triazole (PubChem CID 164877919) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-(4-propylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-propylphenyl)-1,2,4-triazole
PubChem CID164877919
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-(4-propylphenyl)-1,2,4-triazole
SMILESCCCc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C11H13N3/c1-2-3-10-4-6-11(7-5-10)14-8-12-13-9-14/h4-9H,2-3H2,1H3
InChIKeySYVSZPDGNSWZIX-UHFFFAOYSA-N
XLogP2.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-propylphenyl)-1,2,4-triazole (CID 164877919) is 4-(4-propylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-propylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-propylphenyl)-1,2,4-triazole is CCCc1ccc(-n2cnnc2)cc1.
What is the InChIKey of 4-(4-propylphenyl)-1,2,4-triazole?
The InChIKey is SYVSZPDGNSWZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-3-10-4-6-11(7-5-10)14-8-12-13-9-14/h4-9H,2-3H2,1H3.
What are the key properties of 4-(4-propylphenyl)-1,2,4-triazole?
4-(4-propylphenyl)-1,2,4-triazole has a molecular weight of 187.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)-1,2,4-triazole is sourced from PubChem (CID 164877919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).