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

C7H13N3O — CID 115012064

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCn1ncnc1C(C)(C)O
InChIInChI=1S/C7H13N3O/c1-4-10-6(7(2,3)11)8-5-9-10/h5,11H,4H2,1-3H3
InChIKeyIIOBFJDXJUUZGF-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.53
Rot. Bonds2

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

2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 115012064) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID115012064
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCn1ncnc1C(C)(C)O
InChIInChI=1S/C7H13N3O/c1-4-10-6(7(2,3)11)8-5-9-10/h5,11H,4H2,1-3H3
InChIKeyIIOBFJDXJUUZGF-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylbutan-2-one
CID 116710114
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
5-chloro-1-ethyl-1,2,4-triazole
CID 45117660
1-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole
CID 143445836
1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-methylsulfonylbutan-2-one
CID 115779050
2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
CID 115022972
1-(2-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-one
CID 130529478
acetic acid;2-ethyl-N-methyl-1,2,4-triazol-3-amine
CID 173090839
5-(3-bromo-2,2-dimethylpropyl)-1-ethyl-1,2,4-triazole
CID 66048181
1-(2-ethyl-1,2,4-triazol-3-yl)-2,2-difluoroethanone
CID 130529584
2-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 130529956
1-ethyl-5-methyliodanuidyl-1,2,4-triazole
CID 178160647

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol (CID 115012064) is 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol is CCn1ncnc1C(C)(C)O.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is IIOBFJDXJUUZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-10-6(7(2,3)11)8-5-9-10/h5,11H,4H2,1-3H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol?
2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 115012064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).