2-(acetamidohydrazinylidene)acetohydrazide

C4H9N5O2 — CID 71434705

IUPAC2-(acetamidohydrazinylidene)acetohydrazide
SMILESCC(=O)NNN=CC(=O)NN
InChIInChI=1S/C4H9N5O2/c1-3(10)8-9-6-2-4(11)7-5/h2,9H,5H2,1H3,(H,7,11)(H,8,10)
InChIKeyBOXAHFMMRCQUKK-UHFFFAOYSA-N
MW159.15 g/mol
LogP-2.40
Rot. Bonds3

About 2-(acetamidohydrazinylidene)acetohydrazide

2-(acetamidohydrazinylidene)acetohydrazide (PubChem CID 71434705) has the molecular formula C4H9N5O2 and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-(acetamidohydrazinylidene)acetohydrazide.

Molecular Properties

Compound Name2-(acetamidohydrazinylidene)acetohydrazide
PubChem CID71434705
Molecular FormulaC4H9N5O2
Molecular Weight159.15 g/mol
Exact Mass159.08
IUPAC Name2-(acetamidohydrazinylidene)acetohydrazide
SMILESCC(=O)NNN=CC(=O)NN
InChIInChI=1S/C4H9N5O2/c1-3(10)8-9-6-2-4(11)7-5/h2,9H,5H2,1H3,(H,7,11)(H,8,10)
InChIKeyBOXAHFMMRCQUKK-UHFFFAOYSA-N
XLogP-2.40
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-2.40
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-aminoacetohydrazide
CID 57207705
acetohydrazide
CID 169432654
acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide
CID 172984456
N-[(E)-2-oxopropylideneamino]acetamide
CID 59676388
(2Z,4Z)-hexa-2,4-dienedihydrazide
CID 88838427
(2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide
CID 170023364
N-acetyl-2-methyliminoacetamide
CID 142043007
(E)-3-aminoprop-2-enehydrazide
CID 89046550
acetohydrazide;azane;N,N-dimethylmethanamine;hydrochloride
CID 174960274
[(E)-2-oxopropylideneamino]urea
CID 13238217
methylhydrazine;propan-2-one
CID 87351766
(Z)-4-N-methylbut-2-enedihydrazide
CID 98044656

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidohydrazinylidene)acetohydrazide?
The IUPAC name of 2-(acetamidohydrazinylidene)acetohydrazide (CID 71434705) is 2-(acetamidohydrazinylidene)acetohydrazide.
What is the SMILES notation for 2-(acetamidohydrazinylidene)acetohydrazide?
The canonical SMILES for 2-(acetamidohydrazinylidene)acetohydrazide is CC(=O)NNN=CC(=O)NN.
What is the InChIKey of 2-(acetamidohydrazinylidene)acetohydrazide?
The InChIKey is BOXAHFMMRCQUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O2/c1-3(10)8-9-6-2-4(11)7-5/h2,9H,5H2,1H3,(H,7,11)(H,8,10).
What are the key properties of 2-(acetamidohydrazinylidene)acetohydrazide?
2-(acetamidohydrazinylidene)acetohydrazide has a molecular weight of 159.15 g/mol, XLogP of -2.40, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidohydrazinylidene)acetohydrazide is sourced from PubChem (CID 71434705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).