3,4-dihydro-1,2,4-triazol-5-one

C2H3N3O — CID 22446592

IUPAC3,4-dihydro-1,2,4-triazol-5-one
SMILESO=C1N=NCN1
InChIInChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H2,(H,3,6)
InChIKeyZHZYGIQVBQWOJJ-UHFFFAOYSA-N
MW85.07 g/mol
LogP0.12
Rot. Bonds

About 3,4-dihydro-1,2,4-triazol-5-one

3,4-dihydro-1,2,4-triazol-5-one (PubChem CID 22446592) has the molecular formula C2H3N3O and a molecular weight of 85.07 g/mol. Its IUPAC name is 3,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3,4-dihydro-1,2,4-triazol-5-one
PubChem CID22446592
Molecular FormulaC2H3N3O
Molecular Weight85.07 g/mol
Exact Mass85.03
IUPAC Name3,4-dihydro-1,2,4-triazol-5-one
SMILESO=C1N=NCN1
InChIInChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H2,(H,3,6)
InChIKeyZHZYGIQVBQWOJJ-UHFFFAOYSA-N
XLogP0.12
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.07
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3,4-dihydro-1,2,4-triazol-5-one (CID 22446592) is 3,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3,4-dihydro-1,2,4-triazol-5-one is O=C1N=NCN1.
What is the InChIKey of 3,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ZHZYGIQVBQWOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H2,(H,3,6).
What are the key properties of 3,4-dihydro-1,2,4-triazol-5-one?
3,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 85.07 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 22446592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).