2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol

C7H13N3O — CID 83384673

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nnc(C(C)(C)O)n1C
InChIInChI=1S/C7H13N3O/c1-5-8-9-6(10(5)4)7(2,3)11/h11H,1-4H3
InChIKeyQMORFMJFFQSQSJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.35
Rot. Bonds1

About 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol

2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 83384673) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID83384673
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nnc(C(C)(C)O)n1C
InChIInChI=1S/C7H13N3O/c1-5-8-9-6(10(5)4)7(2,3)11/h11H,1-4H3
InChIKeyQMORFMJFFQSQSJ-UHFFFAOYSA-N
XLogP0.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol (CID 83384673) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol is Cc1nnc(C(C)(C)O)n1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is QMORFMJFFQSQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-8-9-6(10(5)4)7(2,3)11/h11H,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 83384673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).