N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C16H13N7O4 — CID 135411808

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H13N7O4/c24-14-7-6-13(23(26)27)8-12(14)9-17-18-15(25)10-22-20-16(19-21-22)11-4-2-1-3-5-11/h1-9,24H,10H2,(H,18,25)/b17-9+
InChIKeyALXSTFKKYVMBAO-RQZCQDPDSA-N
MW367.33 g/mol
LogP1.10
Rot. Bonds6

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 135411808) has the molecular formula C16H13N7O4 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID135411808
Molecular FormulaC16H13N7O4
Molecular Weight367.33 g/mol
Exact Mass367.10
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H13N7O4/c24-14-7-6-13(23(26)27)8-12(14)9-17-18-15(25)10-22-20-16(19-21-22)11-4-2-1-3-5-11/h1-9,24H,10H2,(H,18,25)/b17-9+
InChIKeyALXSTFKKYVMBAO-RQZCQDPDSA-N
XLogP1.10
TPSA148.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N'-{2-hydroxy-3-nitrobenzylidene}-2-(5-phenyl-2H-tetraazol-2-yl)acetohydrazide
CID 135444050
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135650573
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-4-nitrophenol
CID 135504465
2-(5-amino-1H-tetrazol-1-yl)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CID 135460423
2-(2H-1,2,3-benzotriazol-2-yl)-N'-{2-hydroxy-5-nitrobenzylidene}acetohydrazide
CID 135512384
2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylidene]acetohydrazide
CID 135521461
2-hydroxy-5-nitrobenzaldehyde 1H-tetrazol-5-ylhydrazone
CID 135460499
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 3098921
4-nitro-2-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 3111751
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 3384901
2-(benzotriazol-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4022430
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3099792

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 135411808) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is ALXSTFKKYVMBAO-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H13N7O4/c24-14-7-6-13(23(26)27)8-12(14)9-17-18-15(25)10-22-20-16(19-21-22)11-4-2-1-3-5-11/h1-9,24H,10H2,(H,18,25)/b17-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 367.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 135411808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).