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

C7H13N3O — CID 70539257

IUPAC2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol
SMILESCC(C)(CO)Cc1cn[nH]n1
InChIInChI=1S/C7H13N3O/c1-7(2,5-11)3-6-4-8-10-9-6/h4,11H,3,5H2,1-2H3,(H,8,9,10)
InChIKeyHXQACBZJDHFQEE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.37
Rot. Bonds3

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

2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol (PubChem CID 70539257) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol
PubChem CID70539257
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol
SMILESCC(C)(CO)Cc1cn[nH]n1
InChIInChI=1S/C7H13N3O/c1-7(2,5-11)3-6-4-8-10-9-6/h4,11H,3,5H2,1-2H3,(H,8,9,10)
InChIKeyHXQACBZJDHFQEE-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.37
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)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol (CID 70539257) is 2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol is CC(C)(CO)Cc1cn[nH]n1.
What is the InChIKey of 2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol?
The InChIKey is HXQACBZJDHFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2,5-11)3-6-4-8-10-9-6/h4,11H,3,5H2,1-2H3,(H,8,9,10).
What are the key properties of 2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol?
2,2-dimethyl-3-(2H-triazol-4-yl)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.37, 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)propan-1-ol is sourced from PubChem (CID 70539257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).