1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol

C11H19N3O — CID 171574183

IUPAC1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol
SMILESCC(O)c1nc(C(C)(C)C)nn1C1CC1
InChIInChI=1S/C11H19N3O/c1-7(15)9-12-10(11(2,3)4)13-14(9)8-5-6-8/h7-8,15H,5-6H2,1-4H3
InChIKeyVXANAPGLWQKCRC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds2

About 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol

1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 171574183) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol
PubChem CID171574183
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol
SMILESCC(O)c1nc(C(C)(C)C)nn1C1CC1
InChIInChI=1S/C11H19N3O/c1-7(15)9-12-10(11(2,3)4)13-14(9)8-5-6-8/h7-8,15H,5-6H2,1-4H3
InChIKeyVXANAPGLWQKCRC-UHFFFAOYSA-N
XLogP1.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol with MolForge

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Related Compounds

(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(1S)-1-[5-tert-butyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-3-methylbutan-1-ol
CID 97452955
4-Dimethyl-2-(1h-1,2,4 triazol-1-yl) pentan-3-ol
CID 61773095
3-(3,5-Diethyl-1,2,4-triazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65701384
[4-Cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 130561798
1-(Dimethyl-1H-1,2,4-triazol-1-yl)-3-fluoropropan-2-ol
CID 130844433
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-YL)-1-propanol
CID 45791173
[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 58204408
(1-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 58204412
3-(Methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole
CID 58204416
1-(2-Propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 58337035
2-(5-Tert-butyl-1,2,4-triazol-1-yl)ethanol
CID 59128836

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol (CID 171574183) is 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol is CC(O)c1nc(C(C)(C)C)nn1C1CC1.
What is the InChIKey of 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is VXANAPGLWQKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(15)9-12-10(11(2,3)4)13-14(9)8-5-6-8/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol?
1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 171574183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).