1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol

C12H21N3O2 — CID 103451871

IUPAC1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol
SMILESCCn1ncnc1CC(O)C1(O)CCCCC1
InChIInChI=1S/C12H21N3O2/c1-2-15-11(13-9-14-15)8-10(16)12(17)6-4-3-5-7-12/h9-10,16-17H,2-8H2,1H3
InChIKeyFNTBCFFHAMVAEH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.90
Rot. Bonds4

About 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol

1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol (PubChem CID 103451871) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol
PubChem CID103451871
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol
SMILESCCn1ncnc1CC(O)C1(O)CCCCC1
InChIInChI=1S/C12H21N3O2/c1-2-15-11(13-9-14-15)8-10(16)12(17)6-4-3-5-7-12/h9-10,16-17H,2-8H2,1H3
InChIKeyFNTBCFFHAMVAEH-UHFFFAOYSA-N
XLogP0.90
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710450
8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol
CID 114819655
[1-(1-ethoxycyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105276351
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683477
1-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451929
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-ol
CID 116752758
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107189682
1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 126978879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol (CID 103451871) is 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol is CCn1ncnc1CC(O)C1(O)CCCCC1.
What is the InChIKey of 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The InChIKey is FNTBCFFHAMVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-15-11(13-9-14-15)8-10(16)12(17)6-4-3-5-7-12/h9-10,16-17H,2-8H2,1H3.
What are the key properties of 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol?
1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol is sourced from PubChem (CID 103451871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).