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

C8H15N3O — CID 57104554

IUPAC2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol
SMILESCC(c1cn[nH]n1)C(C)(C)CO
InChIInChI=1S/C8H15N3O/c1-6(8(2,3)5-12)7-4-9-11-10-7/h4,6,12H,5H2,1-3H3,(H,9,10,11)
InChIKeyOAKFOAKURIAJDW-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.93
Rot. Bonds3

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

2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol (PubChem CID 57104554) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol
PubChem CID57104554
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol
SMILESCC(c1cn[nH]n1)C(C)(C)CO
InChIInChI=1S/C8H15N3O/c1-6(8(2,3)5-12)7-4-9-11-10-7/h4,6,12H,5H2,1-3H3,(H,9,10,11)
InChIKeyOAKFOAKURIAJDW-UHFFFAOYSA-N
XLogP0.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol (CID 57104554) is 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol is CC(c1cn[nH]n1)C(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol?
The InChIKey is OAKFOAKURIAJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(8(2,3)5-12)7-4-9-11-10-7/h4,6,12H,5H2,1-3H3,(H,9,10,11).
What are the key properties of 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol?
2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2H-triazol-4-yl)butan-1-ol is sourced from PubChem (CID 57104554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).