4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile

C12H7N7O2 — CID 616643

IUPAC4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H7N7O2/c13-5-7-11(15)8(6-14)17-18(12(7)16)9-3-1-2-4-10(9)19(20)21/h1-4,16H,15H2/b16-12+
InChIKeyUWHYREHIJVNZRW-FOWTUZBSSA-N
MW281.24 g/mol
LogP0.59
Rot. Bonds2

About 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile

4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile (PubChem CID 616643) has the molecular formula C12H7N7O2 and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile
PubChem CID616643
Molecular FormulaC12H7N7O2
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H7N7O2/c13-5-7-11(15)8(6-14)17-18(12(7)16)9-3-1-2-4-10(9)19(20)21/h1-4,16H,15H2/b16-12+
InChIKeyUWHYREHIJVNZRW-FOWTUZBSSA-N
XLogP0.59
TPSA158.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iminopyridazine-3,5-dicarbonitrile
CID 70677015
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595783
5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile
CID 63790371
2-(2-nitrophenyl)pyrazol-3-amine
CID 10375626
5-(2,4-dinitrophenyl)-2-imino-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3,6,8,10,12-pentaen-4-amine
CID 71653846
acetonitrile;1,2-dinitrobenzene
CID 174895848
2-nitro-6-sulfanylbenzonitrile
CID 150896521
5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
CID 66007412
1-[5-methyl-1-(2-nitrophenyl)pyrazol-4-yl]ethanamine
CID 43209038
4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
CID 101357762
2-amino-3-hydroxy-6-nitrobenzonitrile
CID 171018562

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile?
The IUPAC name of 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile (CID 616643) is 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile.
What is the SMILES notation for 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile?
The canonical SMILES for 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile is [H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile?
The InChIKey is UWHYREHIJVNZRW-FOWTUZBSSA-N. The full InChI is InChI=1S/C12H7N7O2/c13-5-7-11(15)8(6-14)17-18(12(7)16)9-3-1-2-4-10(9)19(20)21/h1-4,16H,15H2/b16-12+.
What are the key properties of 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile?
4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile has a molecular weight of 281.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile is sourced from PubChem (CID 616643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).