2-(1-methyltriazol-4-yl)propan-2-ol

C6H11N3O — CID 56995281

IUPAC2-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(C)O)nn1
InChIInChI=1S/C6H11N3O/c1-6(2,10)5-4-9(3)8-7-5/h4,10H,1-3H3
InChIKeyIZYJJPFDVHGKAG-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.04
Rot. Bonds1

About 2-(1-methyltriazol-4-yl)propan-2-ol

2-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 56995281) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID56995281
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(C)O)nn1
InChIInChI=1S/C6H11N3O/c1-6(2,10)5-4-9(3)8-7-5/h4,10H,1-3H3
InChIKeyIZYJJPFDVHGKAG-UHFFFAOYSA-N
XLogP0.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 2-(1-methyltriazol-4-yl)propan-2-ol (CID 56995281) is 2-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)propan-2-ol is Cn1cc(C(C)(C)O)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is IZYJJPFDVHGKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-6(2,10)5-4-9(3)8-7-5/h4,10H,1-3H3.
What are the key properties of 2-(1-methyltriazol-4-yl)propan-2-ol?
2-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 141.17 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 56995281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).