(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide

C9H8N6O3 — CID 6523367

IUPAC(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)NN
InChIInChI=1S/C9H8N6O3/c10-5-8(9(16)12-11)14-13-6-2-1-3-7(4-6)15(17)18/h1-4,13H,11H2,(H,12,16)/b14-8-
InChIKeyVPTLUSVGUIJHNJ-ZSOIEALJSA-N
MW248.20 g/mol
LogP-0.12
Rot. Bonds4

About (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide

(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide (PubChem CID 6523367) has the molecular formula C9H8N6O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide
PubChem CID6523367
Molecular FormulaC9H8N6O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)NN
InChIInChI=1S/C9H8N6O3/c10-5-8(9(16)12-11)14-13-6-2-1-3-7(4-6)15(17)18/h1-4,13H,11H2,(H,12,16)/b14-8-
InChIKeyVPTLUSVGUIJHNJ-ZSOIEALJSA-N
XLogP-0.12
TPSA146.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

carbonyl dicyanide;(3-nitrophenyl)hydrazine
CID 19436738
(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide
CID 6266505
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 5357576
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
methyl 2-cyano-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 71330620
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787
(1Z)-2-(2-methoxyethylamino)-N-(4-nitroanilino)-2-oxoethanimidoyl cyanide
CID 11449178
(1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide
CID 6110450
ethyl N-[(2E)-2-isocyano-2-[(3-nitrophenyl)hydrazinylidene]acetyl]carbamate
CID 59139809
2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
CID 62877185
3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
CID 9077469
2-methylpropyl (2Z)-2-cyano-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 5361268

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide (CID 6523367) is (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide is N#C/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)NN.
What is the InChIKey of (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide?
The InChIKey is VPTLUSVGUIJHNJ-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H8N6O3/c10-5-8(9(16)12-11)14-13-6-2-1-3-7(4-6)15(17)18/h1-4,13H,11H2,(H,12,16)/b14-8-.
What are the key properties of (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide?
(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide has a molecular weight of 248.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 6523367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).