2-cinnolin-4-yl-N'-hydroxyethanimidamide

C10H10N4O — CID 83881146

IUPAC2-cinnolin-4-yl-N'-hydroxyethanimidamide
SMILESN/C(Cc1cnnc2ccccc12)=N\O
InChIInChI=1S/C10H10N4O/c11-10(14-15)5-7-6-12-13-9-4-2-1-3-8(7)9/h1-4,6,15H,5H2,(H2,11,14)
InChIKeyBUTMQBYDTVKVIU-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.92
Rot. Bonds2

About 2-cinnolin-4-yl-N'-hydroxyethanimidamide

2-cinnolin-4-yl-N'-hydroxyethanimidamide (PubChem CID 83881146) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-cinnolin-4-yl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cinnolin-4-yl-N'-hydroxyethanimidamide
PubChem CID83881146
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-cinnolin-4-yl-N'-hydroxyethanimidamide
SMILESN/C(Cc1cnnc2ccccc12)=N\O
InChIInChI=1S/C10H10N4O/c11-10(14-15)5-7-6-12-13-9-4-2-1-3-8(7)9/h1-4,6,15H,5H2,(H2,11,14)
InChIKeyBUTMQBYDTVKVIU-UHFFFAOYSA-N
XLogP0.92
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
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

4-ethylcinnoline
CID 54530021
3-[cinnolin-4-yl(ethyl)amino]-N'-hydroxypropanimidamide
CID 77002245
4-(2,2-dimethylpropyl)cinnoline
CID 130295977
2-cinnolin-4-ylacetaldehyde
CID 83874132
3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 77002224
cinnolin-4-amine;hydrochloride
CID 171504338
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
N'-hydroxy-2-phenylethanimidamide
CID 6074309
2-cinnolin-4-yl-1-cyclopropylethanol
CID 63587148
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
CID 2807743
cinnolin-4-ylhydrazine
CID 39733519

Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-4-yl-N'-hydroxyethanimidamide?
The IUPAC name of 2-cinnolin-4-yl-N'-hydroxyethanimidamide (CID 83881146) is 2-cinnolin-4-yl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cinnolin-4-yl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cinnolin-4-yl-N'-hydroxyethanimidamide is N/C(Cc1cnnc2ccccc12)=N\O.
What is the InChIKey of 2-cinnolin-4-yl-N'-hydroxyethanimidamide?
The InChIKey is BUTMQBYDTVKVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-10(14-15)5-7-6-12-13-9-4-2-1-3-8(7)9/h1-4,6,15H,5H2,(H2,11,14).
What are the key properties of 2-cinnolin-4-yl-N'-hydroxyethanimidamide?
2-cinnolin-4-yl-N'-hydroxyethanimidamide has a molecular weight of 202.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-4-yl-N'-hydroxyethanimidamide is sourced from PubChem (CID 83881146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).