2-(4-phenyltriazol-1-yl)cyclododecan-1-ol

C20H29N3O — CID 139241139

IUPAC2-(4-phenyltriazol-1-yl)cyclododecan-1-ol
SMILESOC1CCCCCCCCCCC1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C20H29N3O/c24-20-15-11-6-4-2-1-3-5-10-14-19(20)23-16-18(21-22-23)17-12-8-7-9-13-17/h7-9,12-13,16,19-20,24H,1-6,10-11,14-15H2
InChIKeyHMXKXWXKBFEIMM-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.76
Rot. Bonds2

About 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol

2-(4-phenyltriazol-1-yl)cyclododecan-1-ol (PubChem CID 139241139) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol.

Molecular Properties

Compound Name2-(4-phenyltriazol-1-yl)cyclododecan-1-ol
PubChem CID139241139
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2-(4-phenyltriazol-1-yl)cyclododecan-1-ol
SMILESOC1CCCCCCCCCCC1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C20H29N3O/c24-20-15-11-6-4-2-1-3-5-10-14-19(20)23-16-18(21-22-23)17-12-8-7-9-13-17/h7-9,12-13,16,19-20,24H,1-6,10-11,14-15H2
InChIKeyHMXKXWXKBFEIMM-UHFFFAOYSA-N
XLogP4.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-phenyltriazol-1-yl)cyclododecan-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 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol?
The IUPAC name of 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol (CID 139241139) is 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol.
What is the SMILES notation for 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol?
The canonical SMILES for 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol is OC1CCCCCCCCCCC1n1cc(-c2ccccc2)nn1.
What is the InChIKey of 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol?
The InChIKey is HMXKXWXKBFEIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20-15-11-6-4-2-1-3-5-10-14-19(20)23-16-18(21-22-23)17-12-8-7-9-13-17/h7-9,12-13,16,19-20,24H,1-6,10-11,14-15H2.
What are the key properties of 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol?
2-(4-phenyltriazol-1-yl)cyclododecan-1-ol has a molecular weight of 327.47 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyltriazol-1-yl)cyclododecan-1-ol is sourced from PubChem (CID 139241139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).