1-phenyl-5-propyl-1,2,4-triazole

C11H13N3 — CID 130383396

IUPAC1-phenyl-5-propyl-1,2,4-triazole
SMILESCCCc1ncnn1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-2-6-11-12-9-13-14(11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyLAPBZZDESLUXJD-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.22
Rot. Bonds3

About 1-phenyl-5-propyl-1,2,4-triazole

1-phenyl-5-propyl-1,2,4-triazole (PubChem CID 130383396) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-phenyl-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name1-phenyl-5-propyl-1,2,4-triazole
PubChem CID130383396
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-phenyl-5-propyl-1,2,4-triazole
SMILESCCCc1ncnn1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-2-6-11-12-9-13-14(11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyLAPBZZDESLUXJD-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 1-phenyl-5-propyl-1,2,4-triazole?
The IUPAC name of 1-phenyl-5-propyl-1,2,4-triazole (CID 130383396) is 1-phenyl-5-propyl-1,2,4-triazole.
What is the SMILES notation for 1-phenyl-5-propyl-1,2,4-triazole?
The canonical SMILES for 1-phenyl-5-propyl-1,2,4-triazole is CCCc1ncnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-propyl-1,2,4-triazole?
The InChIKey is LAPBZZDESLUXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-6-11-12-9-13-14(11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 1-phenyl-5-propyl-1,2,4-triazole?
1-phenyl-5-propyl-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 1-phenyl-5-propyl-1,2,4-triazole is sourced from PubChem (CID 130383396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).