2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

C12H21N3O — CID 14326269

IUPAC2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(C)(C)C(O)(Cn1cncn1)C1CCC1
InChIInChI=1S/C12H21N3O/c1-11(2,3)12(16,10-5-4-6-10)7-15-9-13-8-14-15/h8-10,16H,4-7H2,1-3H3
InChIKeyFBQUFDKFPIGFOY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds3

About 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 14326269) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID14326269
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(C)(C)C(O)(Cn1cncn1)C1CCC1
InChIInChI=1S/C12H21N3O/c1-11(2,3)12(16,10-5-4-6-10)7-15-9-13-8-14-15/h8-10,16H,4-7H2,1-3H3
InChIKeyFBQUFDKFPIGFOY-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 14326269) is 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(C)(C)C(O)(Cn1cncn1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is FBQUFDKFPIGFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2,3)12(16,10-5-4-6-10)7-15-9-13-8-14-15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 14326269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).