[(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide

C8H6N7O2- — CID 135708218

IUPAC[(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
SMILESO=[N+]([O-])c1ccc(/C=N\[N-]c2nn[nH]n2)cc1
InChIInChI=1S/C8H6N7O2/c16-15(17)7-3-1-6(2-4-7)5-9-10-8-11-13-14-12-8/h1-5H,(H-,10,11,12,13,14)/q-1/b9-5-
InChIKeySODHAGNCXURNFK-UITAMQMPSA-N
MW232.18 g/mol
LogP1.15
Rot. Bonds4

About [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide

[(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide (PubChem CID 135708218) has the molecular formula C8H6N7O2- and a molecular weight of 232.18 g/mol. Its IUPAC name is [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Name[(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
PubChem CID135708218
Molecular FormulaC8H6N7O2-
Molecular Weight232.18 g/mol
Exact Mass232.06
IUPAC Name[(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
SMILESO=[N+]([O-])c1ccc(/C=N\[N-]c2nn[nH]n2)cc1
InChIInChI=1S/C8H6N7O2/c16-15(17)7-3-1-6(2-4-7)5-9-10-8-11-13-14-12-8/h1-5H,(H-,10,11,12,13,14)/q-1/b9-5-
InChIKeySODHAGNCXURNFK-UITAMQMPSA-N
XLogP1.15
TPSA124.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
CID 135737268
(Z)-3-(4-nitrophenyl)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 132601605
1-(4-nitrophenyl)-N-trimethylsilylmethanimine
CID 71350619
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
4-nitro-2-(2H-tetrazol-5-yliminomethyl)phenol
CID 135776103
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
(NE,R)-2-methyl-N-[(4-nitrophenyl)methylidene]propane-2-sulfinamide
CID 11207533
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 1420807

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide?
The IUPAC name of [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide (CID 135708218) is [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide is O=[N+]([O-])c1ccc(/C=N\[N-]c2nn[nH]n2)cc1.
What is the InChIKey of [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide?
The InChIKey is SODHAGNCXURNFK-UITAMQMPSA-N. The full InChI is InChI=1S/C8H6N7O2/c16-15(17)7-3-1-6(2-4-7)5-9-10-8-11-13-14-12-8/h1-5H,(H-,10,11,12,13,14)/q-1/b9-5-.
What are the key properties of [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide?
[(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide has a molecular weight of 232.18 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 135708218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).