1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol

C13H15N3O — CID 166251756

IUPAC1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol
SMILESOC1(CCn2cc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C13H15N3O/c17-13(6-7-13)8-9-16-10-12(14-15-16)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2
InChIKeyKRLOMAFZXKGINY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds4

About 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol

1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol (PubChem CID 166251756) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol
PubChem CID166251756
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol
SMILESOC1(CCn2cc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C13H15N3O/c17-13(6-7-13)8-9-16-10-12(14-15-16)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2
InChIKeyKRLOMAFZXKGINY-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol 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 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol (CID 166251756) is 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol is OC1(CCn2cc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol?
The InChIKey is KRLOMAFZXKGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(6-7-13)8-9-16-10-12(14-15-16)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2.
What are the key properties of 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol?
1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 166251756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).