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

C7H13N3O — CID 18724116

IUPAC2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol
SMILESCc1ncnn1CC(C)(C)O
InChIInChI=1S/C7H13N3O/c1-6-8-5-9-10(6)4-7(2,3)11/h5,11H,4H2,1-3H3
InChIKeyHFQRVQYKQACKCA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.36
Rot. Bonds2

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

2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 18724116) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol
PubChem CID18724116
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol
SMILESCc1ncnn1CC(C)(C)O
InChIInChI=1S/C7H13N3O/c1-6-8-5-9-10(6)4-7(2,3)11/h5,11H,4H2,1-3H3
InChIKeyHFQRVQYKQACKCA-UHFFFAOYSA-N
XLogP0.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol (CID 18724116) is 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol is Cc1ncnn1CC(C)(C)O.
What is the InChIKey of 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is HFQRVQYKQACKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-8-5-9-10(6)4-7(2,3)11/h5,11H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol?
2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 18724116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).