N-hydroxy-N'-isoquinolin-5-ylmethanimidamide

C10H9N3O — CID 20763601

IUPACN-hydroxy-N'-isoquinolin-5-ylmethanimidamide
SMILESON/C=N/c1cccc2cnccc12
InChIInChI=1S/C10H9N3O/c14-13-7-12-10-3-1-2-8-6-11-5-4-9(8)10/h1-7,14H,(H,12,13)
InChIKeyKLLZUAMPGSTDPL-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.87
Rot. Bonds2

About N-hydroxy-N'-isoquinolin-5-ylmethanimidamide

N-hydroxy-N'-isoquinolin-5-ylmethanimidamide (PubChem CID 20763601) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-hydroxy-N'-isoquinolin-5-ylmethanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-isoquinolin-5-ylmethanimidamide
PubChem CID20763601
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-hydroxy-N'-isoquinolin-5-ylmethanimidamide
SMILESON/C=N/c1cccc2cnccc12
InChIInChI=1S/C10H9N3O/c14-13-7-12-10-3-1-2-8-6-11-5-4-9(8)10/h1-7,14H,(H,12,13)
InChIKeyKLLZUAMPGSTDPL-UHFFFAOYSA-N
XLogP1.87
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

isoquinoline-5-carbothialdehyde
CID 143050226
isoquinolin-5-ylboronic acid
CID 599474
2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol
CID 135760992
3,8-phenanthroline
CID 13064691
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
hydron;isoquinoline-5-carbonitrile
CID 174960346
isoquinolin-5-ylthiourea
CID 1480924
5-(sulfinoamino)isoquinoline
CID 67429142
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
ethane;isoquinolin-5-amine
CID 143675367
3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
CID 81413794
3-isoquinolin-5-ylprop-2-ynoic acid
CID 63640786

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-isoquinolin-5-ylmethanimidamide?
The IUPAC name of N-hydroxy-N'-isoquinolin-5-ylmethanimidamide (CID 20763601) is N-hydroxy-N'-isoquinolin-5-ylmethanimidamide.
What is the SMILES notation for N-hydroxy-N'-isoquinolin-5-ylmethanimidamide?
The canonical SMILES for N-hydroxy-N'-isoquinolin-5-ylmethanimidamide is ON/C=N/c1cccc2cnccc12.
What is the InChIKey of N-hydroxy-N'-isoquinolin-5-ylmethanimidamide?
The InChIKey is KLLZUAMPGSTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-13-7-12-10-3-1-2-8-6-11-5-4-9(8)10/h1-7,14H,(H,12,13).
What are the key properties of N-hydroxy-N'-isoquinolin-5-ylmethanimidamide?
N-hydroxy-N'-isoquinolin-5-ylmethanimidamide has a molecular weight of 187.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-isoquinolin-5-ylmethanimidamide is sourced from PubChem (CID 20763601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).