2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol

C13H24N4O — CID 66268500

IUPAC2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
SMILESCC(NCc1cn(CCO)nn1)C1CCCCC1
InChIInChI=1S/C13H24N4O/c1-11(12-5-3-2-4-6-12)14-9-13-10-17(7-8-18)16-15-13/h10-12,14,18H,2-9H2,1H3
InChIKeyFDLNXJUKYMZPHP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol

2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66268500) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
PubChem CID66268500
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
SMILESCC(NCc1cn(CCO)nn1)C1CCCCC1
InChIInChI=1S/C13H24N4O/c1-11(12-5-3-2-4-6-12)14-9-13-10-17(7-8-18)16-15-13/h10-12,14,18H,2-9H2,1H3
InChIKeyFDLNXJUKYMZPHP-UHFFFAOYSA-N
XLogP1.33
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile
CID 118957080
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269675
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
2-[4-[[[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]ethanol
CID 81351583
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66268295
2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268687
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol (CID 66268500) is 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol is CC(NCc1cn(CCO)nn1)C1CCCCC1.
What is the InChIKey of 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is FDLNXJUKYMZPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(12-5-3-2-4-6-12)14-9-13-10-17(7-8-18)16-15-13/h10-12,14,18H,2-9H2,1H3.
What are the key properties of 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).