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

Related Compounds

5-butyl-3-[3-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole
CID 169210060
N,N-dimethyl-3-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61337119
5-(chloromethyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 79601243
N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295324
2-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61339107
3-(4-chlorophenyl)-5-propyl-1H-1,2,4-triazole
CID 61338485
5-(5-propyl-1H-1,2,4-triazol-3-yl)benzene-1,3-diamine
CID 107811826
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 46398001
N-[[5-methyl-3-(3-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850933
4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66311636
5-propyl-3-thiophen-3-yl-1H-1,2,4-triazole
CID 61338670

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).