N'-ethyl-6-methoxypyridazine-3-carboximidamide

C8H12N4O — CID 103375253

IUPACN'-ethyl-6-methoxypyridazine-3-carboximidamide
SMILESCC/N=C(\N)c1ccc(OC)nn1
InChIInChI=1S/C8H12N4O/c1-3-10-8(9)6-4-5-7(13-2)12-11-6/h4-5H,3H2,1-2H3,(H2,9,10)
InChIKeyYLGDLIYVBNCLPQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.21
Rot. Bonds3

About N'-ethyl-6-methoxypyridazine-3-carboximidamide

N'-ethyl-6-methoxypyridazine-3-carboximidamide (PubChem CID 103375253) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N'-ethyl-6-methoxypyridazine-3-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-6-methoxypyridazine-3-carboximidamide
PubChem CID103375253
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN'-ethyl-6-methoxypyridazine-3-carboximidamide
SMILESCC/N=C(\N)c1ccc(OC)nn1
InChIInChI=1S/C8H12N4O/c1-3-10-8(9)6-4-5-7(13-2)12-11-6/h4-5H,3H2,1-2H3,(H2,9,10)
InChIKeyYLGDLIYVBNCLPQ-UHFFFAOYSA-N
XLogP0.21
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-6-methoxypyridazine-3-carboximidamide?
The IUPAC name of N'-ethyl-6-methoxypyridazine-3-carboximidamide (CID 103375253) is N'-ethyl-6-methoxypyridazine-3-carboximidamide.
What is the SMILES notation for N'-ethyl-6-methoxypyridazine-3-carboximidamide?
The canonical SMILES for N'-ethyl-6-methoxypyridazine-3-carboximidamide is CC/N=C(\N)c1ccc(OC)nn1.
What is the InChIKey of N'-ethyl-6-methoxypyridazine-3-carboximidamide?
The InChIKey is YLGDLIYVBNCLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-3-10-8(9)6-4-5-7(13-2)12-11-6/h4-5H,3H2,1-2H3,(H2,9,10).
What are the key properties of N'-ethyl-6-methoxypyridazine-3-carboximidamide?
N'-ethyl-6-methoxypyridazine-3-carboximidamide has a molecular weight of 180.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-6-methoxypyridazine-3-carboximidamide is sourced from PubChem (CID 103375253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).