3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol

C13H23N3O — CID 71668151

IUPAC3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CCC2CCCCC2)nn1
InChIInChI=1S/C13H23N3O/c17-10-4-9-16-11-13(14-15-16)8-7-12-5-2-1-3-6-12/h11-12,17H,1-10H2
InChIKeyCVCBVUZCQVVSSL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.17
Rot. Bonds6

About 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol

3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol (PubChem CID 71668151) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol
PubChem CID71668151
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CCC2CCCCC2)nn1
InChIInChI=1S/C13H23N3O/c17-10-4-9-16-11-13(14-15-16)8-7-12-5-2-1-3-6-12/h11-12,17H,1-10H2
InChIKeyCVCBVUZCQVVSSL-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol (CID 71668151) is 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol is OCCCn1cc(CCC2CCCCC2)nn1.
What is the InChIKey of 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol?
The InChIKey is CVCBVUZCQVVSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-10-4-9-16-11-13(14-15-16)8-7-12-5-2-1-3-6-12/h11-12,17H,1-10H2.
What are the key properties of 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol?
3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclohexylethyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 71668151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).