(5-cyclohexyl-1-propyltriazol-4-yl)methanol

C12H21N3O — CID 82204908

IUPAC(5-cyclohexyl-1-propyltriazol-4-yl)methanol
SMILESCCCn1nnc(CO)c1C1CCCCC1
InChIInChI=1S/C12H21N3O/c1-2-8-15-12(11(9-16)13-14-15)10-6-4-3-5-7-10/h10,16H,2-9H2,1H3
InChIKeyQZDGOSZTBBYEJR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.23
Rot. Bonds4

About (5-cyclohexyl-1-propyltriazol-4-yl)methanol

(5-cyclohexyl-1-propyltriazol-4-yl)methanol (PubChem CID 82204908) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (5-cyclohexyl-1-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-cyclohexyl-1-propyltriazol-4-yl)methanol
PubChem CID82204908
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(5-cyclohexyl-1-propyltriazol-4-yl)methanol
SMILESCCCn1nnc(CO)c1C1CCCCC1
InChIInChI=1S/C12H21N3O/c1-2-8-15-12(11(9-16)13-14-15)10-6-4-3-5-7-10/h10,16H,2-9H2,1H3
InChIKeyQZDGOSZTBBYEJR-UHFFFAOYSA-N
XLogP2.23
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine
CID 82206090
[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 94944899
[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 82209110
[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
CID 82203350
[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 82196201
(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine
CID 82205832
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate
CID 165486545
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
[1-butyl-5-(trichloromethyl)triazol-4-yl]methanol
CID 82205459
3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol
CID 82210390
[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82211758

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1-propyltriazol-4-yl)methanol?
The IUPAC name of (5-cyclohexyl-1-propyltriazol-4-yl)methanol (CID 82204908) is (5-cyclohexyl-1-propyltriazol-4-yl)methanol.
What is the SMILES notation for (5-cyclohexyl-1-propyltriazol-4-yl)methanol?
The canonical SMILES for (5-cyclohexyl-1-propyltriazol-4-yl)methanol is CCCn1nnc(CO)c1C1CCCCC1.
What is the InChIKey of (5-cyclohexyl-1-propyltriazol-4-yl)methanol?
The InChIKey is QZDGOSZTBBYEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-8-15-12(11(9-16)13-14-15)10-6-4-3-5-7-10/h10,16H,2-9H2,1H3.
What are the key properties of (5-cyclohexyl-1-propyltriazol-4-yl)methanol?
(5-cyclohexyl-1-propyltriazol-4-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1-propyltriazol-4-yl)methanol is sourced from PubChem (CID 82204908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).