(2-ethyl-1,2,4-triazol-3-yl)methanol

C5H9N3O — CID 11412385

IUPAC(2-ethyl-1,2,4-triazol-3-yl)methanol
SMILESCCn1ncnc1CO
InChIInChI=1S/C5H9N3O/c1-2-8-5(3-9)6-4-7-8/h4,9H,2-3H2,1H3
InChIKeyZQYXCGFXZPLEKX-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.21
Rot. Bonds2

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

(2-ethyl-1,2,4-triazol-3-yl)methanol (PubChem CID 11412385) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (2-ethyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-1,2,4-triazol-3-yl)methanol
PubChem CID11412385
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(2-ethyl-1,2,4-triazol-3-yl)methanol
SMILESCCn1ncnc1CO
InChIInChI=1S/C5H9N3O/c1-2-8-5(3-9)6-4-7-8/h4,9H,2-3H2,1H3
InChIKeyZQYXCGFXZPLEKX-UHFFFAOYSA-N
XLogP-0.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 81114047
[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406934
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide
CID 130723743
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-ethyl-1,2,4-triazole;(2-ethyl-1,2,4-triazol-3-yl)methanol;iodoethane;methane;1H-1,2,4-triazole
CID 157118148
[2-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 130578455
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467
[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149604
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-hydroxypentan-2-one
CID 103343849
[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
CID 66349523
5-(3-bromo-2,2-dimethylpropyl)-1-ethyl-1,2,4-triazole
CID 66048181

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)methanol (CID 11412385) is (2-ethyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (2-ethyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (2-ethyl-1,2,4-triazol-3-yl)methanol is CCn1ncnc1CO.
What is the InChIKey of (2-ethyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is ZQYXCGFXZPLEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-8-5(3-9)6-4-7-8/h4,9H,2-3H2,1H3.
What are the key properties of (2-ethyl-1,2,4-triazol-3-yl)methanol?
(2-ethyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 127.15 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 11412385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).