2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide

C9H11N3O2 — CID 162009957

IUPAC2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/c1cc(O)ccc1O
InChIInChI=1S/C9H11N3O2/c10-9(11)5-12-4-6-3-7(13)1-2-8(6)14/h1-4,13-14H,5H2,(H3,10,11)/b12-4+
InChIKeyCCYXSTOQNHLOLT-UUILKARUSA-N
MW193.21 g/mol
LogP0.45
Rot. Bonds3

About 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide

2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide (PubChem CID 162009957) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide.

Molecular Properties

Compound Name2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide
PubChem CID162009957
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/c1cc(O)ccc1O
InChIInChI=1S/C9H11N3O2/c10-9(11)5-12-4-6-3-7(13)1-2-8(6)14/h1-4,13-14H,5H2,(H3,10,11)/b12-4+
InChIKeyCCYXSTOQNHLOLT-UUILKARUSA-N
XLogP0.45
TPSA102.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide
CID 158087990
2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
CID 135483979
2-[2-(2-aminoethylamino)ethyliminomethyl]benzene-1,4-diol
CID 136801162
2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide
CID 157238357
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
acetic acid;2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide
CID 161150838
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
methyl N'-[(2,5-dihydroxyphenyl)methylideneamino]carbamimidothioate
CID 137207506
2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol
CID 135532292
2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide
CID 158087991
2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
CID 136738932
2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid
CID 137090711

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide?
The IUPAC name of 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide (CID 162009957) is 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide.
What is the SMILES notation for 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide?
The canonical SMILES for 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide is [H]/N=C(\N)C/N=C/c1cc(O)ccc1O.
What is the InChIKey of 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide?
The InChIKey is CCYXSTOQNHLOLT-UUILKARUSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-9(11)5-12-4-6-3-7(13)1-2-8(6)14/h1-4,13-14H,5H2,(H3,10,11)/b12-4+.
What are the key properties of 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide?
2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide has a molecular weight of 193.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dihydroxyphenyl)methylideneamino]ethanimidamide is sourced from PubChem (CID 162009957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).