2,4-diethyl-1,2,4-triazol-3-one

C6H11N3O — CID 59175718

IUPAC2,4-diethyl-1,2,4-triazol-3-one
SMILESCCn1cnn(CC)c1=O
InChIInChI=1S/C6H11N3O/c1-3-8-5-7-9(4-2)6(8)10/h5H,3-4H2,1-2H3
InChIKeyBDEDARSZICTWDR-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.08
Rot. Bonds2

About 2,4-diethyl-1,2,4-triazol-3-one

2,4-diethyl-1,2,4-triazol-3-one (PubChem CID 59175718) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,4-diethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2,4-diethyl-1,2,4-triazol-3-one
PubChem CID59175718
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2,4-diethyl-1,2,4-triazol-3-one
SMILESCCn1cnn(CC)c1=O
InChIInChI=1S/C6H11N3O/c1-3-8-5-7-9(4-2)6(8)10/h5H,3-4H2,1-2H3
InChIKeyBDEDARSZICTWDR-UHFFFAOYSA-N
XLogP0.08
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1,2,4-triazol-3-one?
The IUPAC name of 2,4-diethyl-1,2,4-triazol-3-one (CID 59175718) is 2,4-diethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2,4-diethyl-1,2,4-triazol-3-one?
The canonical SMILES for 2,4-diethyl-1,2,4-triazol-3-one is CCn1cnn(CC)c1=O.
What is the InChIKey of 2,4-diethyl-1,2,4-triazol-3-one?
The InChIKey is BDEDARSZICTWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-8-5-7-9(4-2)6(8)10/h5H,3-4H2,1-2H3.
What are the key properties of 2,4-diethyl-1,2,4-triazol-3-one?
2,4-diethyl-1,2,4-triazol-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 59175718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).