4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

C8H7N7O3 — CID 135460499

IUPAC4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2nn[nH]n2)c1
InChIInChI=1S/C8H7N7O3/c16-7-2-1-6(15(17)18)3-5(7)4-9-10-8-11-13-14-12-8/h1-4,16H,(H2,10,11,12,13,14)/b9-4+
InChIKeyQWHAGNDMBYFSSR-RUDMXATFSA-N
MW249.19 g/mol
LogP0.26
Rot. Bonds4

About 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (PubChem CID 135460499) has the molecular formula C8H7N7O3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
PubChem CID135460499
Molecular FormulaC8H7N7O3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2nn[nH]n2)c1
InChIInChI=1S/C8H7N7O3/c16-7-2-1-6(15(17)18)3-5(7)4-9-10-8-11-13-14-12-8/h1-4,16H,(H2,10,11,12,13,14)/b9-4+
InChIKeyQWHAGNDMBYFSSR-RUDMXATFSA-N
XLogP0.26
TPSA142.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Hydrazinecarbothioamide, 2-[(2-hydroxy-5-nitrophenyl)methylene]-
CID 3111530
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-4-nitrophenol
CID 135504465
4-nitro-2-(2H-tetraazol-5-yl)phenol
CID 3407488
(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinecarboximidamide
CID 135454394
(5-Phenyl-tetrazol-2-yl)-acetic acid (2-hydroxy-5-nitro-benzylidene)-hydrazide
CID 135411808
4-Nitro-2-[(E)-[1,2,4]triazol-4-yliminomethyl]-phenol
CID 135521466
2-[(3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino)-methyl]-4-nitro-phenol
CID 135536564
2-Hydroxy-5-nitrobenzaldehyde thiosemicarbazone
CID 135478437
[(1E)-2-(2-methoxy-5-nitrophenyl)-1-azavinyl]-1H-1,2,3,4-tetraazol-5-ylamine
CID 9592842
2-Hydroxy-5-nitrobenzaldehyde phenylhydrazone
CID 86261386
4-nitro-2-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}phenol
CID 135403141
6-(Hydrazinylmethylidene)-4-nitrocyclohexa-2,4-dien-1-one
CID 136116020

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (CID 135460499) is 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1ccc(O)c(/C=N/Nc2nn[nH]n2)c1.
What is the InChIKey of 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The InChIKey is QWHAGNDMBYFSSR-RUDMXATFSA-N. The full InChI is InChI=1S/C8H7N7O3/c16-7-2-1-6(15(17)18)3-5(7)4-9-10-8-11-13-14-12-8/h1-4,16H,(H2,10,11,12,13,14)/b9-4+.
What are the key properties of 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol has a molecular weight of 249.19 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135460499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).