1-N'-anilino-2-N'-hydroxyethanediimidamide

C8H11N5O — CID 135408234

IUPAC1-N'-anilino-2-N'-hydroxyethanediimidamide
SMILESNC(=NO)C(N)=NNc1ccccc1
InChIInChI=1S/C8H11N5O/c9-7(8(10)13-14)12-11-6-4-2-1-3-5-6/h1-5,11,14H,(H2,9,12)(H2,10,13)
InChIKeyKZRQYOIQVKKDBF-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.12
Rot. Bonds2

About 1-N'-anilino-2-N'-hydroxyethanediimidamide

1-N'-anilino-2-N'-hydroxyethanediimidamide (PubChem CID 135408234) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-N'-anilino-2-N'-hydroxyethanediimidamide.

Molecular Properties

Compound Name1-N'-anilino-2-N'-hydroxyethanediimidamide
PubChem CID135408234
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-N'-anilino-2-N'-hydroxyethanediimidamide
SMILESNC(=NO)C(N)=NNc1ccccc1
InChIInChI=1S/C8H11N5O/c9-7(8(10)13-14)12-11-6-4-2-1-3-5-6/h1-5,11,14H,(H2,9,12)(H2,10,13)
InChIKeyKZRQYOIQVKKDBF-UHFFFAOYSA-N
XLogP0.12
TPSA109.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-anilino-2-oxopropanimidamide
CID 6340113
(2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide
CID 135580732
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
N-[(2-amino-1-phenylethylidene)amino]aniline
CID 88823119
(2Z)-2-amino-2-[(4-fluorophenyl)hydrazinylidene]-N-phenylacetamide
CID 134920026
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
2-anilino-1-benzylideneguanidine
CID 172953173
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
2-anilino-1-benzamidoguanidine
CID 154146821
(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide
CID 90782282
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134

Frequently Asked Questions

What is the IUPAC name of 1-N'-anilino-2-N'-hydroxyethanediimidamide?
The IUPAC name of 1-N'-anilino-2-N'-hydroxyethanediimidamide (CID 135408234) is 1-N'-anilino-2-N'-hydroxyethanediimidamide.
What is the SMILES notation for 1-N'-anilino-2-N'-hydroxyethanediimidamide?
The canonical SMILES for 1-N'-anilino-2-N'-hydroxyethanediimidamide is NC(=NO)C(N)=NNc1ccccc1.
What is the InChIKey of 1-N'-anilino-2-N'-hydroxyethanediimidamide?
The InChIKey is KZRQYOIQVKKDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-7(8(10)13-14)12-11-6-4-2-1-3-5-6/h1-5,11,14H,(H2,9,12)(H2,10,13).
What are the key properties of 1-N'-anilino-2-N'-hydroxyethanediimidamide?
1-N'-anilino-2-N'-hydroxyethanediimidamide has a molecular weight of 193.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-anilino-2-N'-hydroxyethanediimidamide is sourced from PubChem (CID 135408234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).