4-phenyl-5-propyl-2H-triazole

C11H13N3 — CID 66772707

IUPAC4-phenyl-5-propyl-2H-triazole
SMILESCCCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-2-6-10-11(13-14-12-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,12,13,14)
InChIKeyVKFNNHHDRNJZFU-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.42
Rot. Bonds3

About 4-phenyl-5-propyl-2H-triazole

4-phenyl-5-propyl-2H-triazole (PubChem CID 66772707) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-phenyl-5-propyl-2H-triazole.

Molecular Properties

Compound Name4-phenyl-5-propyl-2H-triazole
PubChem CID66772707
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-phenyl-5-propyl-2H-triazole
SMILESCCCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-2-6-10-11(13-14-12-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,12,13,14)
InChIKeyVKFNNHHDRNJZFU-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-5-propyl-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-propyl-2H-triazole?
The IUPAC name of 4-phenyl-5-propyl-2H-triazole (CID 66772707) is 4-phenyl-5-propyl-2H-triazole.
What is the SMILES notation for 4-phenyl-5-propyl-2H-triazole?
The canonical SMILES for 4-phenyl-5-propyl-2H-triazole is CCCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-propyl-2H-triazole?
The InChIKey is VKFNNHHDRNJZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-6-10-11(13-14-12-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,12,13,14).
What are the key properties of 4-phenyl-5-propyl-2H-triazole?
4-phenyl-5-propyl-2H-triazole has a molecular weight of 187.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-propyl-2H-triazole is sourced from PubChem (CID 66772707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).