[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide

C12H13N8O3- — CID 135737268

IUPAC[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
SMILESO=[N+]([O-])c1cc(/C=N\[N-]c2nn[nH]n2)ccc1N1CCOCC1
InChIInChI=1S/C12H13N8O3/c21-20(22)11-7-9(8-13-14-12-15-17-18-16-12)1-2-10(11)19-3-5-23-6-4-19/h1-2,7-8H,3-6H2,(H-,14,15,16,17,18)/q-1/b13-8-
InChIKeyHXEMKNCYIVXLGL-JYRVWZFOSA-N
MW317.29 g/mol
LogP0.98
Rot. Bonds5

About [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide

[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide (PubChem CID 135737268) has the molecular formula C12H13N8O3- and a molecular weight of 317.29 g/mol. Its IUPAC name is [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Name[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
PubChem CID135737268
Molecular FormulaC12H13N8O3-
Molecular Weight317.29 g/mol
Exact Mass317.11
IUPAC Name[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
SMILESO=[N+]([O-])c1cc(/C=N\[N-]c2nn[nH]n2)ccc1N1CCOCC1
InChIInChI=1S/C12H13N8O3/c21-20(22)11-7-9(8-13-14-12-15-17-18-16-12)1-2-10(11)19-3-5-23-6-4-19/h1-2,7-8H,3-6H2,(H-,14,15,16,17,18)/q-1/b13-8-
InChIKeyHXEMKNCYIVXLGL-JYRVWZFOSA-N
XLogP0.98
TPSA136.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

1-(azepan-1-yl)-2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxyethanone
CID 7550312
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 7325851
5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 4159725
2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
CID 7550395
2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile
CID 26675986
5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2852250
2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 126027173
N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 3793255
2-[2-[(4-morpholin-4-yl-3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620871
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875
4-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-nitrophenyl]morpholine
CID 6184620

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide?
The IUPAC name of [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide (CID 135737268) is [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide is O=[N+]([O-])c1cc(/C=N\[N-]c2nn[nH]n2)ccc1N1CCOCC1.
What is the InChIKey of [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide?
The InChIKey is HXEMKNCYIVXLGL-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H13N8O3/c21-20(22)11-7-9(8-13-14-12-15-17-18-16-12)1-2-10(11)19-3-5-23-6-4-19/h1-2,7-8H,3-6H2,(H-,14,15,16,17,18)/q-1/b13-8-.
What are the key properties of [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide?
[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide has a molecular weight of 317.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 135737268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).