3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol

C11H20N4O — CID 66596787

IUPAC3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol
SMILESOCCCc1nnnn1CC1CCCCC1
InChIInChI=1S/C11H20N4O/c16-8-4-7-11-12-13-14-15(11)9-10-5-2-1-3-6-10/h10,16H,1-9H2
InChIKeySSHMYSLEJQNKEU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.18
Rot. Bonds5

About 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol

3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol (PubChem CID 66596787) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol
PubChem CID66596787
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol
SMILESOCCCc1nnnn1CC1CCCCC1
InChIInChI=1S/C11H20N4O/c16-8-4-7-11-12-13-14-15(11)9-10-5-2-1-3-6-10/h10,16H,1-9H2
InChIKeySSHMYSLEJQNKEU-UHFFFAOYSA-N
XLogP1.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-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 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol?
The IUPAC name of 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol (CID 66596787) is 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol is OCCCc1nnnn1CC1CCCCC1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol?
The InChIKey is SSHMYSLEJQNKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c16-8-4-7-11-12-13-14-15(11)9-10-5-2-1-3-6-10/h10,16H,1-9H2.
What are the key properties of 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol?
3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-ol is sourced from PubChem (CID 66596787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).