3-ethyl-2-methyl-1H-1,2,4-triazol-5-one

C5H9N3O — CID 144878252

IUPAC3-ethyl-2-methyl-1H-1,2,4-triazol-5-one
SMILESCCc1nc(=O)[nH]n1C
InChIInChI=1S/C5H9N3O/c1-3-4-6-5(9)7-8(4)2/h3H2,1-2H3,(H,7,9)
InChIKeyFDTMIMTVJIBHRJ-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.33
Rot. Bonds1

About 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one

3-ethyl-2-methyl-1H-1,2,4-triazol-5-one (PubChem CID 144878252) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-1H-1,2,4-triazol-5-one
PubChem CID144878252
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-ethyl-2-methyl-1H-1,2,4-triazol-5-one
SMILESCCc1nc(=O)[nH]n1C
InChIInChI=1S/C5H9N3O/c1-3-4-6-5(9)7-8(4)2/h3H2,1-2H3,(H,7,9)
InChIKeyFDTMIMTVJIBHRJ-UHFFFAOYSA-N
XLogP-0.33
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one (CID 144878252) is 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one is CCc1nc(=O)[nH]n1C.
What is the InChIKey of 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is FDTMIMTVJIBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-4-6-5(9)7-8(4)2/h3H2,1-2H3,(H,7,9).
What are the key properties of 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one?
3-ethyl-2-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 127.15 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 144878252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).