3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide

C7H12N4O3 — CID 77002090

IUPAC3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCC(=O)NC1=O
InChIInChI=1S/C7H12N4O3/c8-10-6(13)2-4-11-3-1-5(12)9-7(11)14/h1-4,8H2,(H,10,13)(H,9,12,14)
InChIKeyNWSYGUHJJVWUFZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.69
Rot. Bonds3

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

3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide (PubChem CID 77002090) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide
PubChem CID77002090
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCC(=O)NC1=O
InChIInChI=1S/C7H12N4O3/c8-10-6(13)2-4-11-3-1-5(12)9-7(11)14/h1-4,8H2,(H,10,13)(H,9,12,14)
InChIKeyNWSYGUHJJVWUFZ-UHFFFAOYSA-N
XLogP-1.69
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide (CID 77002090) is 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide is NNC(=O)CCN1CCC(=O)NC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide?
The InChIKey is NWSYGUHJJVWUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-10-6(13)2-4-11-3-1-5(12)9-7(11)14/h1-4,8H2,(H,10,13)(H,9,12,14).
What are the key properties of 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide?
3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide has a molecular weight of 200.20 g/mol, XLogP of -1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazinan-1-yl)propanehydrazide is sourced from PubChem (CID 77002090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).