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

C14H19N3O — CID 113301344

IUPAC3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cccc(OC(C)C)c1
InChIInChI=1S/C14H19N3O/c1-4-8-17-10-15-16-14(17)12-6-5-7-13(9-12)18-11(2)3/h5-7,9-11H,4,8H2,1-3H3
InChIKeyIULDFSZJNCQYTF-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.14
Rot. Bonds5

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

3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole (PubChem CID 113301344) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole
PubChem CID113301344
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1cccc(OC(C)C)c1
InChIInChI=1S/C14H19N3O/c1-4-8-17-10-15-16-14(17)12-6-5-7-13(9-12)18-11(2)3/h5-7,9-11H,4,8H2,1-3H3
InChIKeyIULDFSZJNCQYTF-UHFFFAOYSA-N
XLogP3.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-propan-2-yloxyphenyl)-4-propyl-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

4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole
CID 121495560
3-(3-chloro-4-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395050
3-butyl-5-(3-propan-2-yloxyphenyl)imidazol-4-amine
CID 62017559
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002
2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694499
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
4-(aminomethyl)-6-(3-propan-2-yloxyphenyl)-2-propylpyridazin-3-one
CID 82446845
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
3-(3-chloro-5-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395140
3-(3-propan-2-yloxyphenyl)-5-propyl-1H-1,2,4-triazole
CID 55131382

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole (CID 113301344) is 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1cccc(OC(C)C)c1.
What is the InChIKey of 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole?
The InChIKey is IULDFSZJNCQYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-8-17-10-15-16-14(17)12-6-5-7-13(9-12)18-11(2)3/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole?
3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole has a molecular weight of 245.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 113301344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).