3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide

C9H21N7O3 — CID 3045313

IUPAC3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
SMILESNNC(=O)CCN(CCC(=O)NN)CCC(=O)NN
InChIInChI=1S/C9H21N7O3/c10-13-7(17)1-4-16(5-2-8(18)14-11)6-3-9(19)15-12/h1-6,10-12H2,(H,13,17)(H,14,18)(H,15,19)
InChIKeyPMPWHLYNGLTUHI-UHFFFAOYSA-N
MW275.31 g/mol
LogP-3.57
Rot. Bonds9

About 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide

3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide (PubChem CID 3045313) has the molecular formula C9H21N7O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
PubChem CID3045313
Molecular FormulaC9H21N7O3
Molecular Weight275.31 g/mol
Exact Mass275.17
IUPAC Name3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
SMILESNNC(=O)CCN(CCC(=O)NN)CCC(=O)NN
InChIInChI=1S/C9H21N7O3/c10-13-7(17)1-4-16(5-2-8(18)14-11)6-3-9(19)15-12/h1-6,10-12H2,(H,13,17)(H,14,18)(H,15,19)
InChIKeyPMPWHLYNGLTUHI-UHFFFAOYSA-N
XLogP-3.57
TPSA168.60 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.31
LogP ≤ 5-3.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide?
The IUPAC name of 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide (CID 3045313) is 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide.
What is the SMILES notation for 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide?
The canonical SMILES for 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide is NNC(=O)CCN(CCC(=O)NN)CCC(=O)NN.
What is the InChIKey of 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide?
The InChIKey is PMPWHLYNGLTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N7O3/c10-13-7(17)1-4-16(5-2-8(18)14-11)6-3-9(19)15-12/h1-6,10-12H2,(H,13,17)(H,14,18)(H,15,19).
What are the key properties of 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide?
3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide has a molecular weight of 275.31 g/mol, XLogP of -3.57, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide is sourced from PubChem (CID 3045313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).