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

C5H9N3O — CID 12033997

IUPAC2-ethyl-4-methyl-1,2,4-triazol-3-one
SMILESCCn1ncn(C)c1=O
InChIInChI=1S/C5H9N3O/c1-3-8-5(9)7(2)4-6-8/h4H,3H2,1-2H3
InChIKeyRZDJMRAGESRRRY-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.40
Rot. Bonds1

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

2-ethyl-4-methyl-1,2,4-triazol-3-one (PubChem CID 12033997) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-1,2,4-triazol-3-one
PubChem CID12033997
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-ethyl-4-methyl-1,2,4-triazol-3-one
SMILESCCn1ncn(C)c1=O
InChIInChI=1S/C5H9N3O/c1-3-8-5(9)7(2)4-6-8/h4H,3H2,1-2H3
InChIKeyRZDJMRAGESRRRY-UHFFFAOYSA-N
XLogP-0.40
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-ethyl-4-methyl-1,2,4-triazol-3-one (CID 12033997) is 2-ethyl-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-ethyl-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-ethyl-4-methyl-1,2,4-triazol-3-one is CCn1ncn(C)c1=O.
What is the InChIKey of 2-ethyl-4-methyl-1,2,4-triazol-3-one?
The InChIKey is RZDJMRAGESRRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-8-5(9)7(2)4-6-8/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1,2,4-triazol-3-one?
2-ethyl-4-methyl-1,2,4-triazol-3-one has a molecular weight of 127.15 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 12033997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).