1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine

C8H10N6O5 — CID 135822056

IUPAC1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
SMILESNC(=N/N=C/c1cc([N+](=O)[O-])ccc1O)NN(O)O
InChIInChI=1S/C8H10N6O5/c9-8(12-14(18)19)11-10-4-5-3-6(13(16)17)1-2-7(5)15/h1-4,15,18-19H,(H3,9,11,12)/b10-4+
InChIKeyNVLKZFNFDBXIFG-ONNFQVAWSA-N
MW270.21 g/mol
LogP-0.47
Rot. Bonds4

About 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine

1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine (PubChem CID 135822056) has the molecular formula C8H10N6O5 and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
PubChem CID135822056
Molecular FormulaC8H10N6O5
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
SMILESNC(=N/N=C/c1cc([N+](=O)[O-])ccc1O)NN(O)O
InChIInChI=1S/C8H10N6O5/c9-8(12-14(18)19)11-10-4-5-3-6(13(16)17)1-2-7(5)15/h1-4,15,18-19H,(H3,9,11,12)/b10-4+
InChIKeyNVLKZFNFDBXIFG-ONNFQVAWSA-N
XLogP-0.47
TPSA169.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 55
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': '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-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
2-[(2-fluoro-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 90876369
1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine
CID 135444892
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135775343
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
CID 141229523
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenol
CID 135497970
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159

Frequently Asked Questions

What is the IUPAC name of 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine (CID 135822056) is 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine is NC(=N/N=C/c1cc([N+](=O)[O-])ccc1O)NN(O)O.
What is the InChIKey of 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine?
The InChIKey is NVLKZFNFDBXIFG-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H10N6O5/c9-8(12-14(18)19)11-10-4-5-3-6(13(16)17)1-2-7(5)15/h1-4,15,18-19H,(H3,9,11,12)/b10-4+.
What are the key properties of 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine?
1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine has a molecular weight of 270.21 g/mol, XLogP of -0.47, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 135822056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).