3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide

C10H25N7O2 — CID 87667146

IUPAC3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide
SMILESNNC(=O)CCNCCNCCNCCC(=O)NN
InChIInChI=1S/C10H25N7O2/c11-16-9(18)1-3-13-5-7-15-8-6-14-4-2-10(19)17-12/h13-15H,1-8,11-12H2,(H,16,18)(H,17,19)
InChIKeyNOYKPTAIVKUBSS-UHFFFAOYSA-N
MW275.36 g/mol
LogP-3.48
Rot. Bonds12

About 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide

3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide (PubChem CID 87667146) has the molecular formula C10H25N7O2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide.

Molecular Properties

Compound Name3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide
PubChem CID87667146
Molecular FormulaC10H25N7O2
Molecular Weight275.36 g/mol
Exact Mass275.21
IUPAC Name3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide
SMILESNNC(=O)CCNCCNCCNCCC(=O)NN
InChIInChI=1S/C10H25N7O2/c11-16-9(18)1-3-13-5-7-15-8-6-14-4-2-10(19)17-12/h13-15H,1-8,11-12H2,(H,16,18)(H,17,19)
InChIKeyNOYKPTAIVKUBSS-UHFFFAOYSA-N
XLogP-3.48
TPSA146.33 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 5-3.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide?
The IUPAC name of 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide (CID 87667146) is 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide.
What is the SMILES notation for 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide?
The canonical SMILES for 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide is NNC(=O)CCNCCNCCNCCC(=O)NN.
What is the InChIKey of 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide?
The InChIKey is NOYKPTAIVKUBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N7O2/c11-16-9(18)1-3-13-5-7-15-8-6-14-4-2-10(19)17-12/h13-15H,1-8,11-12H2,(H,16,18)(H,17,19).
What are the key properties of 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide?
3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide has a molecular weight of 275.36 g/mol, XLogP of -3.48, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(3-hydrazinyl-3-oxopropyl)amino]ethylamino]ethylamino]propanehydrazide is sourced from PubChem (CID 87667146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).