triazolidin-4-one

C2H5N3O — CID 22313061

IUPACtriazolidin-4-one
SMILESO=C1CNNN1
InChIInChI=1S/C2H5N3O/c6-2-1-3-5-4-2/h3,5H,1H2,(H,4,6)
InChIKeyJVYPLKQUQGQUKP-UHFFFAOYSA-N
MW87.08 g/mol
LogP-1.87
Rot. Bonds

About triazolidin-4-one

triazolidin-4-one (PubChem CID 22313061) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is triazolidin-4-one.

Molecular Properties

Compound Nametriazolidin-4-one
PubChem CID22313061
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Nametriazolidin-4-one
SMILESO=C1CNNN1
InChIInChI=1S/C2H5N3O/c6-2-1-3-5-4-2/h3,5H,1H2,(H,4,6)
InChIKeyJVYPLKQUQGQUKP-UHFFFAOYSA-N
XLogP-1.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of triazolidin-4-one?
The IUPAC name of triazolidin-4-one (CID 22313061) is triazolidin-4-one.
What is the SMILES notation for triazolidin-4-one?
The canonical SMILES for triazolidin-4-one is O=C1CNNN1.
What is the InChIKey of triazolidin-4-one?
The InChIKey is JVYPLKQUQGQUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O/c6-2-1-3-5-4-2/h3,5H,1H2,(H,4,6).
What are the key properties of triazolidin-4-one?
triazolidin-4-one has a molecular weight of 87.08 g/mol, XLogP of -1.87, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazolidin-4-one is sourced from PubChem (CID 22313061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).