1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine

C15H13N7O6 — CID 137175139

IUPAC1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccc(O)c([N+](=O)[O-])c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13N7O6/c16-15(19-17-7-9-1-3-13(23)11(5-9)21(25)26)20-18-8-10-2-4-14(24)12(6-10)22(27)28/h1-8,23-24H,(H3,16,19,20)/b17-7+,18-8+
InChIKeyTVQABBICUNSDBP-ZEELXFFVSA-N
MW387.31 g/mol
LogP1.19
Rot. Bonds6

About 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine

1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine (PubChem CID 137175139) has the molecular formula C15H13N7O6 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
PubChem CID137175139
Molecular FormulaC15H13N7O6
Molecular Weight387.31 g/mol
Exact Mass387.09
IUPAC Name1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccc(O)c([N+](=O)[O-])c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13N7O6/c16-15(19-17-7-9-1-3-13(23)11(5-9)21(25)26)20-18-8-10-2-4-14(24)12(6-10)22(27)28/h1-8,23-24H,(H3,16,19,20)/b17-7+,18-8+
InChIKeyTVQABBICUNSDBP-ZEELXFFVSA-N
XLogP1.19
TPSA201.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-(((3-Nitrophenyl)methylene)amino)phenol
CID 94755
4-Hydroxy-3-nitrobenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 135412208
(2E)-2-(2-hydroxy-3-nitrobenzylidene)hydrazinecarboximidamide
CID 135433254
4-Hydroxybenzaldehyde, 4-nitrophenylhydrazone
CID 135620071
4-Hydroxy-3-nitrobenzaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135425004
1-hydroxy-3-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]urea
CID 135501931
(Z)-4-chloro-5-(2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl)pyridazin-3(2H)-one
CID 135412280
4-chloro-5-[(2E)-2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl]pyridazin-3-ol
CID 135651244
(E)-4-Hydroxy-3-nitrobenzaldehyde O-methyl oxime (20)
CID 136661643
2,4-dinitro-6-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenol
CID 135683641
3-(4-hydroxyphenyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 135927805
2,4-dinitro-6-[(E)-(phenylhydrazono)methyl]phenol
CID 137100866

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine (CID 137175139) is 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine is N/C(=N\N=C\c1ccc(O)c([N+](=O)[O-])c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine?
The InChIKey is TVQABBICUNSDBP-ZEELXFFVSA-N. The full InChI is InChI=1S/C15H13N7O6/c16-15(19-17-7-9-1-3-13(23)11(5-9)21(25)26)20-18-8-10-2-4-14(24)12(6-10)22(27)28/h1-8,23-24H,(H3,16,19,20)/b17-7+,18-8+.
What are the key properties of 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine?
1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine has a molecular weight of 387.31 g/mol, XLogP of 1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 137175139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).