3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide

C6H9N5O4 — CID 172839351

IUPAC3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide
SMILESNNC(=O)CCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N5O4/c7-10-3(12)1-2-11-5(14)8-4(13)9-6(11)15/h1-2,7H2,(H,10,12)(H2,8,9,13,14,15)
InChIKeyWOWVFULFOVCZIC-UHFFFAOYSA-N
MW215.17 g/mol
LogP-3.40
Rot. Bonds3

About 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide

3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide (PubChem CID 172839351) has the molecular formula C6H9N5O4 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide
PubChem CID172839351
Molecular FormulaC6H9N5O4
Molecular Weight215.17 g/mol
Exact Mass215.07
IUPAC Name3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide
SMILESNNC(=O)CCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N5O4/c7-10-3(12)1-2-11-5(14)8-4(13)9-6(11)15/h1-2,7H2,(H,10,12)(H2,8,9,13,14,15)
InChIKeyWOWVFULFOVCZIC-UHFFFAOYSA-N
XLogP-3.40
TPSA142.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-3.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide?
The IUPAC name of 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide (CID 172839351) is 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide?
The canonical SMILES for 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide is NNC(=O)CCn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide?
The InChIKey is WOWVFULFOVCZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O4/c7-10-3(12)1-2-11-5(14)8-4(13)9-6(11)15/h1-2,7H2,(H,10,12)(H2,8,9,13,14,15).
What are the key properties of 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide?
3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide has a molecular weight of 215.17 g/mol, XLogP of -3.40, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanehydrazide is sourced from PubChem (CID 172839351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).