3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide

C10H16N6O5 — CID 69031990

IUPAC3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide
SMILESNNC(=O)CCN1C(=O)CC(=O)N(CCC(=O)NN)C1=O
InChIInChI=1S/C10H16N6O5/c11-13-6(17)1-3-15-8(19)5-9(20)16(10(15)21)4-2-7(18)14-12/h1-5,11-12H2,(H,13,17)(H,14,18)
InChIKeyCAMNHHHAYJPQFL-UHFFFAOYSA-N
MW300.28 g/mol
LogP-3.07
Rot. Bonds6

About 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide

3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide (PubChem CID 69031990) has the molecular formula C10H16N6O5 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide
PubChem CID69031990
Molecular FormulaC10H16N6O5
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide
SMILESNNC(=O)CCN1C(=O)CC(=O)N(CCC(=O)NN)C1=O
InChIInChI=1S/C10H16N6O5/c11-13-6(17)1-3-15-8(19)5-9(20)16(10(15)21)4-2-7(18)14-12/h1-5,11-12H2,(H,13,17)(H,14,18)
InChIKeyCAMNHHHAYJPQFL-UHFFFAOYSA-N
XLogP-3.07
TPSA167.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 5-3.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide?
The IUPAC name of 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide (CID 69031990) is 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide.
What is the SMILES notation for 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide?
The canonical SMILES for 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide is NNC(=O)CCN1C(=O)CC(=O)N(CCC(=O)NN)C1=O.
What is the InChIKey of 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide?
The InChIKey is CAMNHHHAYJPQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O5/c11-13-6(17)1-3-15-8(19)5-9(20)16(10(15)21)4-2-7(18)14-12/h1-5,11-12H2,(H,13,17)(H,14,18).
What are the key properties of 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide?
3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide has a molecular weight of 300.28 g/mol, XLogP of -3.07, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanehydrazide is sourced from PubChem (CID 69031990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).