1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine

C8H8N6O4 — CID 6765521

IUPAC1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
SMILESNC(=N/N=C\c1ccc([N+](=O)[O-])cc1)N[N+](=O)[O-]
InChIInChI=1S/C8H8N6O4/c9-8(12-14(17)18)11-10-5-6-1-3-7(4-2-6)13(15)16/h1-5H,(H3,9,11,12)/b10-5-
InChIKeyMRHMIOZFOCDMGZ-YHYXMXQVSA-N
MW252.19 g/mol
LogP0.02
Rot. Bonds4

About 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine

1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine (PubChem CID 6765521) has the molecular formula C8H8N6O4 and a molecular weight of 252.19 g/mol. Its IUPAC name is 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
PubChem CID6765521
Molecular FormulaC8H8N6O4
Molecular Weight252.19 g/mol
Exact Mass252.06
IUPAC Name1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
SMILESNC(=N/N=C\c1ccc([N+](=O)[O-])cc1)N[N+](=O)[O-]
InChIInChI=1S/C8H8N6O4/c9-8(12-14(17)18)11-10-5-6-1-3-7(4-2-6)13(15)16/h1-5H,(H3,9,11,12)/b10-5-
InChIKeyMRHMIOZFOCDMGZ-YHYXMXQVSA-N
XLogP0.02
TPSA149.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
methyl N'-[(Z)-(4-nitrophenyl)methylideneamino]carbamimidothioate
CID 6511843
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
CID 131842509
2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
CID 141229523
N-[[amino(nitramido)methylidene]amino]-4-nitrobenzamide
CID 74219905
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
N'-[(E)-(4-nitrophenyl)methylideneamino]adamantane-1-carboximidamide
CID 56693486
1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768
2-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1-nitroguanidine
CID 6771045
2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 46877408
2-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 172952986

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine (CID 6765521) is 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine is NC(=N/N=C\c1ccc([N+](=O)[O-])cc1)N[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine?
The InChIKey is MRHMIOZFOCDMGZ-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H8N6O4/c9-8(12-14(17)18)11-10-5-6-1-3-7(4-2-6)13(15)16/h1-5H,(H3,9,11,12)/b10-5-.
What are the key properties of 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine?
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine has a molecular weight of 252.19 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 6765521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).