N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide

C8H9N5O — CID 135456631

IUPACN'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide
SMILESCn1c(/C(N)=N\O)nc2ncccc21
InChIInChI=1S/C8H9N5O/c1-13-5-3-2-4-10-7(5)11-8(13)6(9)12-14/h2-4,14H,1H3,(H2,9,12)
InChIKeyOHRXVKBUPHRZPW-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.06
Rot. Bonds1

About N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide

N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide (PubChem CID 135456631) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide
PubChem CID135456631
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC NameN'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide
SMILESCn1c(/C(N)=N\O)nc2ncccc21
InChIInChI=1S/C8H9N5O/c1-13-5-3-2-4-10-7(5)11-8(13)6(9)12-14/h2-4,14H,1H3,(H2,9,12)
InChIKeyOHRXVKBUPHRZPW-UHFFFAOYSA-N
XLogP0.06
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide (CID 135456631) is N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide is Cn1c(/C(N)=N\O)nc2ncccc21.
What is the InChIKey of N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide?
The InChIKey is OHRXVKBUPHRZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-13-5-3-2-4-10-7(5)11-8(13)6(9)12-14/h2-4,14H,1H3,(H2,9,12).
What are the key properties of N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide?
N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide has a molecular weight of 191.19 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide is sourced from PubChem (CID 135456631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).