3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide

C7H17N5O2 — CID 20591290

IUPAC3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide
SMILESCN(CCC(=O)NN)CCC(=O)NN
InChIInChI=1S/C7H17N5O2/c1-12(4-2-6(13)10-8)5-3-7(14)11-9/h2-5,8-9H2,1H3,(H,10,13)(H,11,14)
InChIKeyQVEHJNVFDSELCZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP-2.32
Rot. Bonds6

About 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide

3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide (PubChem CID 20591290) has the molecular formula C7H17N5O2 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide.

Molecular Properties

Compound Name3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide
PubChem CID20591290
Molecular FormulaC7H17N5O2
Molecular Weight203.25 g/mol
Exact Mass203.14
IUPAC Name3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide
SMILESCN(CCC(=O)NN)CCC(=O)NN
InChIInChI=1S/C7H17N5O2/c1-12(4-2-6(13)10-8)5-3-7(14)11-9/h2-5,8-9H2,1H3,(H,10,13)(H,11,14)
InChIKeyQVEHJNVFDSELCZ-UHFFFAOYSA-N
XLogP-2.32
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide?
The IUPAC name of 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide (CID 20591290) is 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide.
What is the SMILES notation for 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide?
The canonical SMILES for 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide is CN(CCC(=O)NN)CCC(=O)NN.
What is the InChIKey of 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide?
The InChIKey is QVEHJNVFDSELCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O2/c1-12(4-2-6(13)10-8)5-3-7(14)11-9/h2-5,8-9H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide?
3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide has a molecular weight of 203.25 g/mol, XLogP of -2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide is sourced from PubChem (CID 20591290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).