4-N-methylbutanedihydrazide

C5H12N4O2 — CID 45122743

IUPAC4-N-methylbutanedihydrazide
SMILESCN(N)C(=O)CCC(=O)NN
InChIInChI=1S/C5H12N4O2/c1-9(7)5(11)3-2-4(10)8-6/h2-3,6-7H2,1H3,(H,8,10)
InChIKeyHTDZEZJTEHYPMO-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.91
Rot. Bonds3

About 4-N-methylbutanedihydrazide

4-N-methylbutanedihydrazide (PubChem CID 45122743) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-N-methylbutanedihydrazide.

Molecular Properties

Compound Name4-N-methylbutanedihydrazide
PubChem CID45122743
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name4-N-methylbutanedihydrazide
SMILESCN(N)C(=O)CCC(=O)NN
InChIInChI=1S/C5H12N4O2/c1-9(7)5(11)3-2-4(10)8-6/h2-3,6-7H2,1H3,(H,8,10)
InChIKeyHTDZEZJTEHYPMO-UHFFFAOYSA-N
XLogP-1.91
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

butanedihydrazide;hydrochloride
CID 54607274
3-hydrazinyl-N,N-dimethyl-3-oxopropanamide;hydrochloride
CID 130621835
hexanedihydrazide;pentanedihydrazide
CID 157195533
3-(methylamino)propanehydrazide
CID 59203678
2-[(5-hydrazinyl-5-oxopentyl)-methylamino]-N,N-dimethylacetamide
CID 63572911
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432
azane;propanehydrazide;hydroiodide
CID 174716911
3-trimethylstannylpropanehydrazide
CID 12901376
5-oxohexanehydrazide
CID 126993835
3-[cyclopropylmethyl(methyl)amino]propanehydrazide
CID 63571724
4-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63583890
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231

Frequently Asked Questions

What is the IUPAC name of 4-N-methylbutanedihydrazide?
The IUPAC name of 4-N-methylbutanedihydrazide (CID 45122743) is 4-N-methylbutanedihydrazide.
What is the SMILES notation for 4-N-methylbutanedihydrazide?
The canonical SMILES for 4-N-methylbutanedihydrazide is CN(N)C(=O)CCC(=O)NN.
What is the InChIKey of 4-N-methylbutanedihydrazide?
The InChIKey is HTDZEZJTEHYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-9(7)5(11)3-2-4(10)8-6/h2-3,6-7H2,1H3,(H,8,10).
What are the key properties of 4-N-methylbutanedihydrazide?
4-N-methylbutanedihydrazide has a molecular weight of 160.18 g/mol, XLogP of -1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylbutanedihydrazide is sourced from PubChem (CID 45122743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).