4-(4-propoxyphenyl)-1,2,4-triazole

C11H13N3O — CID 91684257

IUPAC4-(4-propoxyphenyl)-1,2,4-triazole
SMILESCCCOc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C11H13N3O/c1-2-7-15-11-5-3-10(4-6-11)14-8-12-13-9-14/h3-6,8-9H,2,7H2,1H3
InChIKeyBDRWIXRDXMZGDM-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.06
Rot. Bonds4

About 4-(4-propoxyphenyl)-1,2,4-triazole

4-(4-propoxyphenyl)-1,2,4-triazole (PubChem CID 91684257) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(4-propoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-propoxyphenyl)-1,2,4-triazole
PubChem CID91684257
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(4-propoxyphenyl)-1,2,4-triazole
SMILESCCCOc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C11H13N3O/c1-2-7-15-11-5-3-10(4-6-11)14-8-12-13-9-14/h3-6,8-9H,2,7H2,1H3
InChIKeyBDRWIXRDXMZGDM-UHFFFAOYSA-N
XLogP2.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-propoxyphenyl)-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

3,4-difluoro-1-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]pyrrole
CID 102499066
2-[3-(4-propoxyphenyl)triazol-4-yl]ethanamine
CID 112518516
4-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 62329532
1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole
CID 71253286
CID 57452703
CID 57452703
N-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569632
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide
CID 142920231
1-(4-butoxyphenyl)-1,2,4-triazole
CID 11458616
4-[2-[3-(1,2,4-triazol-4-yl)phenoxy]ethoxy]benzonitrile
CID 138486509
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-propoxyphenyl)-1,2,4-triazole (CID 91684257) is 4-(4-propoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-propoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-propoxyphenyl)-1,2,4-triazole is CCCOc1ccc(-n2cnnc2)cc1.
What is the InChIKey of 4-(4-propoxyphenyl)-1,2,4-triazole?
The InChIKey is BDRWIXRDXMZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-7-15-11-5-3-10(4-6-11)14-8-12-13-9-14/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 4-(4-propoxyphenyl)-1,2,4-triazole?
4-(4-propoxyphenyl)-1,2,4-triazole has a molecular weight of 203.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 91684257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).