3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide

C7H15N5O4 — CID 122496103

IUPAC3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide
SMILESCNC(=O)CC(O)(CC(=O)NN)C(=O)NN
InChIInChI=1S/C7H15N5O4/c1-10-4(13)2-7(16,6(15)12-9)3-5(14)11-8/h16H,2-3,8-9H2,1H3,(H,10,13)(H,11,14)(H,12,15)
InChIKeyKPGCGBTUHLQCMQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP-3.78
Rot. Bonds5

About 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide

3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide (PubChem CID 122496103) has the molecular formula C7H15N5O4 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide
PubChem CID122496103
Molecular FormulaC7H15N5O4
Molecular Weight233.23 g/mol
Exact Mass233.11
IUPAC Name3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide
SMILESCNC(=O)CC(O)(CC(=O)NN)C(=O)NN
InChIInChI=1S/C7H15N5O4/c1-10-4(13)2-7(16,6(15)12-9)3-5(14)11-8/h16H,2-3,8-9H2,1H3,(H,10,13)(H,11,14)(H,12,15)
InChIKeyKPGCGBTUHLQCMQ-UHFFFAOYSA-N
XLogP-3.78
TPSA159.57 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.23
LogP ≤ 5-3.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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

(2S)-2-hydroxy-N',2-dimethylbutanediamide
CID 173099192
2-(methylamino)acetohydrazide
CID 22479968
3,3,6,6-tetramethyloctanedihydrazide
CID 123887942
3,3,3-trichloropropanehydrazide
CID 134894748
3-hydroxy-3-methylhexanehydrazide
CID 59409443
3-(methylamino)propanehydrazide
CID 59203678
N,N',3,3,6,6-hexamethyloctanediamide
CID 54555561
butanedihydrazide;hydrochloride
CID 54607274
N-methylpropanamide;propane
CID 91316585
N,3,3,5,5-pentamethylhexanamide
CID 134573804
N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide
CID 10035076
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231

Frequently Asked Questions

What is the IUPAC name of 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide?
The IUPAC name of 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide (CID 122496103) is 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide.
What is the SMILES notation for 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide?
The canonical SMILES for 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide is CNC(=O)CC(O)(CC(=O)NN)C(=O)NN.
What is the InChIKey of 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide?
The InChIKey is KPGCGBTUHLQCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O4/c1-10-4(13)2-7(16,6(15)12-9)3-5(14)11-8/h16H,2-3,8-9H2,1H3,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide?
3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide has a molecular weight of 233.23 g/mol, XLogP of -3.78, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide is sourced from PubChem (CID 122496103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).