3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole

C14H19N3O — CID 55131382

IUPAC3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(-c2cccc(OC(C)C)c2)n[nH]1
InChIInChI=1S/C14H19N3O/c1-4-6-13-15-14(17-16-13)11-7-5-8-12(9-11)18-10(2)3/h5,7-10H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyAPGLROZKWFSGOF-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.21
Rot. Bonds5

About 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole

3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole (PubChem CID 55131382) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole
PubChem CID55131382
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(-c2cccc(OC(C)C)c2)n[nH]1
InChIInChI=1S/C14H19N3O/c1-4-6-13-15-14(17-16-13)11-7-5-8-12(9-11)18-10(2)3/h5,7-10H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyAPGLROZKWFSGOF-UHFFFAOYSA-N
XLogP3.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-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 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole (CID 55131382) is 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole is CCCc1nc(-c2cccc(OC(C)C)c2)n[nH]1.
What is the InChIKey of 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole?
The InChIKey is APGLROZKWFSGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-6-13-15-14(17-16-13)11-7-5-8-12(9-11)18-10(2)3/h5,7-10H,4,6H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole?
3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole has a molecular weight of 245.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 55131382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).