3-methoxypyridazine-4-carboximidamide

C6H8N4O — CID 80514231

IUPAC3-methoxypyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OC
InChIInChI=1S/C6H8N4O/c1-11-6-4(5(7)8)2-3-9-10-6/h2-3H,1H3,(H3,7,8)
InChIKeyZUWRUBGJMBJDDZ-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.23
Rot. Bonds2

About 3-methoxypyridazine-4-carboximidamide

3-methoxypyridazine-4-carboximidamide (PubChem CID 80514231) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 3-methoxypyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-methoxypyridazine-4-carboximidamide
PubChem CID80514231
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name3-methoxypyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OC
InChIInChI=1S/C6H8N4O/c1-11-6-4(5(7)8)2-3-9-10-6/h2-3H,1H3,(H3,7,8)
InChIKeyZUWRUBGJMBJDDZ-UHFFFAOYSA-N
XLogP-0.23
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.23
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'}

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Related Compounds

3-(3,5-dimethoxyphenoxy)pyridazine-4-carboximidamide
CID 80514150
3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514220
3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
CID 80514283
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
3-(cyclopropylmethoxy)pyridazine-4-carboximidamide
CID 80514099
3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514124
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
CID 107724658
3-(2-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80513986
3-(2-ethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514051
3-(4-bromo-2-chlorophenoxy)pyridazine-4-carboximidamide
CID 80514235
3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512957
3-(3-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514169

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyridazine-4-carboximidamide?
The IUPAC name of 3-methoxypyridazine-4-carboximidamide (CID 80514231) is 3-methoxypyridazine-4-carboximidamide.
What is the SMILES notation for 3-methoxypyridazine-4-carboximidamide?
The canonical SMILES for 3-methoxypyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1OC.
What is the InChIKey of 3-methoxypyridazine-4-carboximidamide?
The InChIKey is ZUWRUBGJMBJDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-11-6-4(5(7)8)2-3-9-10-6/h2-3H,1H3,(H3,7,8).
What are the key properties of 3-methoxypyridazine-4-carboximidamide?
3-methoxypyridazine-4-carboximidamide has a molecular weight of 152.16 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyridazine-4-carboximidamide is sourced from PubChem (CID 80514231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).