N,N'-diamino-2-oxoethanimidamide

C2H6N4O — CID 145012716

IUPACN,N'-diamino-2-oxoethanimidamide
SMILESN/N=C(/C=O)NN
InChIInChI=1S/C2H6N4O/c3-5-2(1-7)6-4/h1H,3-4H2,(H,5,6)
InChIKeyBMUJIFYWGWKTBD-UHFFFAOYSA-N
MW102.10 g/mol
LogP-2.08
Rot. Bonds1

About N,N'-diamino-2-oxoethanimidamide

N,N'-diamino-2-oxoethanimidamide (PubChem CID 145012716) has the molecular formula C2H6N4O and a molecular weight of 102.10 g/mol. Its IUPAC name is N,N'-diamino-2-oxoethanimidamide.

Molecular Properties

Compound NameN,N'-diamino-2-oxoethanimidamide
PubChem CID145012716
Molecular FormulaC2H6N4O
Molecular Weight102.10 g/mol
Exact Mass102.05
IUPAC NameN,N'-diamino-2-oxoethanimidamide
SMILESN/N=C(/C=O)NN
InChIInChI=1S/C2H6N4O/c3-5-2(1-7)6-4/h1H,3-4H2,(H,5,6)
InChIKeyBMUJIFYWGWKTBD-UHFFFAOYSA-N
XLogP-2.08
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.10
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-formylprop-2-enehydrazide
CID 22179166
N-ethenyl-N'-methyl-2-oxoethanimidamide
CID 142130799
N-hydroxy-2-oxo-N'-propan-2-ylethanimidamide
CID 175150616
N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide
CID 126606016
N,N'-diethyl-2-oxoethanimidamide
CID 123980775
acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide
CID 172984456
5-[[(Z)-N-aminocarbamohydrazonoyl]amino]-5-oxopentanoic acid
CID 143157427
(5Z)-5-hydrazinyl-5-hydrazinylidenepentanamide
CID 130354637
N'-hydrazinyl-4-oxobutanimidamide
CID 142506955
formohydrazide;yttrium
CID 174415535
N-hydroxyformamide;titanium
CID 174147037
formic acid;titanium
CID 174303021

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-2-oxoethanimidamide?
The IUPAC name of N,N'-diamino-2-oxoethanimidamide (CID 145012716) is N,N'-diamino-2-oxoethanimidamide.
What is the SMILES notation for N,N'-diamino-2-oxoethanimidamide?
The canonical SMILES for N,N'-diamino-2-oxoethanimidamide is N/N=C(/C=O)NN.
What is the InChIKey of N,N'-diamino-2-oxoethanimidamide?
The InChIKey is BMUJIFYWGWKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4O/c3-5-2(1-7)6-4/h1H,3-4H2,(H,5,6).
What are the key properties of N,N'-diamino-2-oxoethanimidamide?
N,N'-diamino-2-oxoethanimidamide has a molecular weight of 102.10 g/mol, XLogP of -2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-oxoethanimidamide is sourced from PubChem (CID 145012716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).