aziridine-1,2-dicarbohydrazide

C4H9N5O2 — CID 139822017

IUPACaziridine-1,2-dicarbohydrazide
SMILESNNC(=O)C1CN1C(=O)NN
InChIInChI=1S/C4H9N5O2/c5-7-3(10)2-1-9(2)4(11)8-6/h2H,1,5-6H2,(H,7,10)(H,8,11)
InChIKeyQWPIJPDPAKBGHL-UHFFFAOYSA-N
MW159.15 g/mol
LogP-2.76
Rot. Bonds1

About aziridine-1,2-dicarbohydrazide

aziridine-1,2-dicarbohydrazide (PubChem CID 139822017) has the molecular formula C4H9N5O2 and a molecular weight of 159.15 g/mol. Its IUPAC name is aziridine-1,2-dicarbohydrazide.

Molecular Properties

Compound Nameaziridine-1,2-dicarbohydrazide
PubChem CID139822017
Molecular FormulaC4H9N5O2
Molecular Weight159.15 g/mol
Exact Mass159.08
IUPAC Nameaziridine-1,2-dicarbohydrazide
SMILESNNC(=O)C1CN1C(=O)NN
InChIInChI=1S/C4H9N5O2/c5-7-3(10)2-1-9(2)4(11)8-6/h2H,1,5-6H2,(H,7,10)(H,8,11)
InChIKeyQWPIJPDPAKBGHL-UHFFFAOYSA-N
XLogP-2.76
TPSA113.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-2.76
H-Bond Donors ≤ 54
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enylaziridine-2-carbohydrazide
CID 12503641
(2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide
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(2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide
CID 10176748
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide
CID 130697867
tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
CID 90181745
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
3-fluoropyrrolidine-1-carbohydrazide
CID 155317183
3,4-dimethoxypyrrolidine-1-carbohydrazide
CID 103536753
(2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid
CID 137407685
1-azabicyclo[2.2.2]octane-3-carbohydrazide
CID 573413
cis-(1S,2R)-cyclopentane-1,2-dicarbohydrazide
CID 130731478

Frequently Asked Questions

What is the IUPAC name of aziridine-1,2-dicarbohydrazide?
The IUPAC name of aziridine-1,2-dicarbohydrazide (CID 139822017) is aziridine-1,2-dicarbohydrazide.
What is the SMILES notation for aziridine-1,2-dicarbohydrazide?
The canonical SMILES for aziridine-1,2-dicarbohydrazide is NNC(=O)C1CN1C(=O)NN.
What is the InChIKey of aziridine-1,2-dicarbohydrazide?
The InChIKey is QWPIJPDPAKBGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O2/c5-7-3(10)2-1-9(2)4(11)8-6/h2H,1,5-6H2,(H,7,10)(H,8,11).
What are the key properties of aziridine-1,2-dicarbohydrazide?
aziridine-1,2-dicarbohydrazide has a molecular weight of 159.15 g/mol, XLogP of -2.76, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine-1,2-dicarbohydrazide is sourced from PubChem (CID 139822017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).