chempirical

4,5-Dihydro-N-nitro-1H-imidazol-2-amine

C3H6N4O2CAS 5465-96-3130.11 g/mol

Open in Covalent MOL file
ON+O−HNNHN
GuanidineNitro

Properties

Molecular formula
C3H6N4O2
Molar mass
130.11 g/mol
Exact mass
130.0491 Da
Melting point
220–221 °C (decomposes)
logP
-1.27Crippen estimate
Polar surface area
79.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
5465-96-3
SMILES
O=[N+]([O-])NC1=NCCN1
InChIKey
DJZWNSRUEJSEEB-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N4O2/c8-7(9)6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1H-Imidazol-2-amine, 4,5-dihydro-N-nitro-
  • Imidazolidine, 2-(nitroimino)-
  • 2-Nitroaminoimidazoline
  • 2-(Nitroamino)-2-imidazoline
  • 2-Nitramino-2-imidazoline
  • 2-Nitriminoimidazolidine
  • 2-(Nitroimino)imidazolidine
  • NSC 25961
  • NSC 65424
  • NSC 91792
  • 2-Nitroiminoimidazole

Work with 4,5-Dihydro-N-nitro-1H-imidazol-2-amine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydrazino-2-imidazoline hydrobromide55959-84-738 % similar Dinotefuran165252-70-037 % similar 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine153719-38-137 % similar Nitroguanidine556-88-735 % similar Clothianidin210880-92-534 % similar N-Methyl-N′-nitroguanidine4245-76-533 % similar Clonidine4205-90-733 % similar 2-Imidazolidinone120-93-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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