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

C15H13N7O6 — CID 137255813

IUPAC1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1ccc(O)c([N+](=O)[O-])c1)NN=Cc1ccc(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)
InChIKeyTVQABBICUNSDBP-UHFFFAOYSA-N
MW387.31 g/mol
LogP1.19
Rot. Bonds6

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

1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine (PubChem CID 137255813) has the molecular formula C15H13N7O6 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
PubChem CID137255813
Molecular FormulaC15H13N7O6
Molecular Weight387.31 g/mol
Exact Mass387.09
IUPAC Name1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1ccc(O)c([N+](=O)[O-])c1)NN=Cc1ccc(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)
InChIKeyTVQABBICUNSDBP-UHFFFAOYSA-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

1,2-bis[(E)-(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 172961336
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
2-ethyl-N,N'-bis[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 136803489
4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135673739
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579599
1,2-bis[(E)-(4-cyanophenyl)methylideneamino]guanidine;nitric acid
CID 173457767
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
1-butyl-3-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 135731095
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135771114

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine (CID 137255813) is 1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine is NC(=NN=Cc1ccc(O)c([N+](=O)[O-])c1)NN=Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine?
The InChIKey is TVQABBICUNSDBP-UHFFFAOYSA-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).
What are the key properties of 1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine?
1,2-bis[(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[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 137255813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).