1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol

C9H15N3O — CID 107046208

IUPAC1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCC2)nn1
InChIInChI=1S/C9H15N3O/c1-12-6-8(10-11-12)5-9(13)7-3-2-4-7/h6-7,9,13H,2-5H2,1H3
InChIKeyLWWSEVHWWIURLM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.52
Rot. Bonds3

About 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol

1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107046208) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107046208
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCC2)nn1
InChIInChI=1S/C9H15N3O/c1-12-6-8(10-11-12)5-9(13)7-3-2-4-7/h6-7,9,13H,2-5H2,1H3
InChIKeyLWWSEVHWWIURLM-UHFFFAOYSA-N
XLogP0.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
CID 107045995
1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046119
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
CID 107045186
1-(1,1-dioxothian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065689
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(1,4-dithian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107047995
N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 107063738
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046180

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol (CID 107046208) is 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)C2CCC2)nn1.
What is the InChIKey of 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is LWWSEVHWWIURLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-6-8(10-11-12)5-9(13)7-3-2-4-7/h6-7,9,13H,2-5H2,1H3.
What are the key properties of 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol?
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107046208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).