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

C11H19N3O — CID 14326270

IUPAC2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(C)(C)C(O)(Cn1cncn1)C1CC1
InChIInChI=1S/C11H19N3O/c1-10(2,3)11(15,9-4-5-9)6-14-8-12-7-13-14/h7-9,15H,4-6H2,1-3H3
InChIKeyYQYYOLDXITYZGN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds3

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

2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 14326270) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID14326270
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(C)(C)C(O)(Cn1cncn1)C1CC1
InChIInChI=1S/C11H19N3O/c1-10(2,3)11(15,9-4-5-9)6-14-8-12-7-13-14/h7-9,15H,4-6H2,1-3H3
InChIKeyYQYYOLDXITYZGN-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 14326270) is 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(C)(C)C(O)(Cn1cncn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is YQYYOLDXITYZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,3)11(15,9-4-5-9)6-14-8-12-7-13-14/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 14326270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).