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

C6H11N3O — CID 83675114

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCC(O)Cc1nncn1C
InChIInChI=1S/C6H11N3O/c1-5(10)3-6-8-7-4-9(6)2/h4-5,10H,3H2,1-2H3
InChIKeyONIMOGVONRACCD-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.26
Rot. Bonds2

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

1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 83675114) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID83675114
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCC(O)Cc1nncn1C
InChIInChI=1S/C6H11N3O/c1-5(10)3-6-8-7-4-9(6)2/h4-5,10H,3H2,1-2H3
InChIKeyONIMOGVONRACCD-UHFFFAOYSA-N
XLogP-0.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol (CID 83675114) is 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol is CC(O)Cc1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is ONIMOGVONRACCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)3-6-8-7-4-9(6)2/h4-5,10H,3H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol?
1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 141.17 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 83675114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).