3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide

C7H10N4O4 — CID 174509093

IUPAC3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide
SMILESNNC(=O)CCN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C7H10N4O4/c8-10-4(12)1-2-11-6(14)3-5(13)9-7(11)15/h1-3,8H2,(H,10,12)(H,9,13,15)
InChIKeyNKQBRXJCIGOPSC-UHFFFAOYSA-N
MW214.18 g/mol
LogP-2.17
Rot. Bonds3

About 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide

3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide (PubChem CID 174509093) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide
PubChem CID174509093
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide
SMILESNNC(=O)CCN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C7H10N4O4/c8-10-4(12)1-2-11-6(14)3-5(13)9-7(11)15/h1-3,8H2,(H,10,12)(H,9,13,15)
InChIKeyNKQBRXJCIGOPSC-UHFFFAOYSA-N
XLogP-2.17
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide?
The IUPAC name of 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide (CID 174509093) is 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide?
The canonical SMILES for 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide is NNC(=O)CCN1C(=O)CC(=O)NC1=O.
What is the InChIKey of 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide?
The InChIKey is NKQBRXJCIGOPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c8-10-4(12)1-2-11-6(14)3-5(13)9-7(11)15/h1-3,8H2,(H,10,12)(H,9,13,15).
What are the key properties of 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide?
3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide has a molecular weight of 214.18 g/mol, XLogP of -2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trioxo-1,3-diazinan-1-yl)propanehydrazide is sourced from PubChem (CID 174509093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).