1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol

C13H23N3O — CID 112743911

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol
SMILESCCn1ncnc1C1(O)CCCC(C(C)C)C1
InChIInChI=1S/C13H23N3O/c1-4-16-12(14-9-15-16)13(17)7-5-6-11(8-13)10(2)3/h9-11,17H,4-8H2,1-3H3
InChIKeyCAMCDDPUYXZIPU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.33
Rot. Bonds3

About 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol

1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 112743911) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID112743911
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol
SMILESCCn1ncnc1C1(O)CCCC(C(C)C)C1
InChIInChI=1S/C13H23N3O/c1-4-16-12(14-9-15-16)13(17)7-5-6-11(8-13)10(2)3/h9-11,17H,4-8H2,1-3H3
InChIKeyCAMCDDPUYXZIPU-UHFFFAOYSA-N
XLogP2.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 126978879
1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449675
5-(3-bromo-1-methylcyclopentyl)-1-ethyl-1,2,4-triazole
CID 130530052
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449696
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 63975652
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
CID 107449831
3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol
CID 107450011
1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449913

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol (CID 112743911) is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol is CCn1ncnc1C1(O)CCCC(C(C)C)C1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is CAMCDDPUYXZIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-16-12(14-9-15-16)13(17)7-5-6-11(8-13)10(2)3/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol?
1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 112743911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).