3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide

C9H15N7O5 — CID 147043964

IUPAC3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide
SMILESNNC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)NN)c1=O
InChIInChI=1S/C9H15N7O5/c10-13-5(17)1-3-15-7(19)12-8(20)16(9(15)21)4-2-6(18)14-11/h1-4,10-11H2,(H,13,17)(H,14,18)(H,12,19,20)
InChIKeyAZZQCLHCPZYSBH-UHFFFAOYSA-N
MW301.26 g/mol
LogP-4.54
Rot. Bonds6

About 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide

3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide (PubChem CID 147043964) has the molecular formula C9H15N7O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide
PubChem CID147043964
Molecular FormulaC9H15N7O5
Molecular Weight301.26 g/mol
Exact Mass301.11
IUPAC Name3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide
SMILESNNC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)NN)c1=O
InChIInChI=1S/C9H15N7O5/c10-13-5(17)1-3-15-7(19)12-8(20)16(9(15)21)4-2-6(18)14-11/h1-4,10-11H2,(H,13,17)(H,14,18)(H,12,19,20)
InChIKeyAZZQCLHCPZYSBH-UHFFFAOYSA-N
XLogP-4.54
TPSA187.10 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 5-4.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide?
The IUPAC name of 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide (CID 147043964) is 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide.
What is the SMILES notation for 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide?
The canonical SMILES for 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide is NNC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)NN)c1=O.
What is the InChIKey of 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide?
The InChIKey is AZZQCLHCPZYSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7O5/c10-13-5(17)1-3-15-7(19)12-8(20)16(9(15)21)4-2-6(18)14-11/h1-4,10-11H2,(H,13,17)(H,14,18)(H,12,19,20).
What are the key properties of 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide?
3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide has a molecular weight of 301.26 g/mol, XLogP of -4.54, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydrazinyl-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanehydrazide is sourced from PubChem (CID 147043964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).