3-phenylmethoxypyridazine-4-carboximidamide

C12H12N4O — CID 80514143

IUPAC3-phenylmethoxypyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OCc1ccccc1
InChIInChI=1S/C12H12N4O/c13-11(14)10-6-7-15-16-12(10)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,14)
InChIKeyXHPYLLATWTTWMF-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.34
Rot. Bonds4

About 3-phenylmethoxypyridazine-4-carboximidamide

3-phenylmethoxypyridazine-4-carboximidamide (PubChem CID 80514143) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-phenylmethoxypyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-phenylmethoxypyridazine-4-carboximidamide
PubChem CID80514143
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name3-phenylmethoxypyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OCc1ccccc1
InChIInChI=1S/C12H12N4O/c13-11(14)10-6-7-15-16-12(10)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,14)
InChIKeyXHPYLLATWTTWMF-UHFFFAOYSA-N
XLogP1.34
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.34
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-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
3-(cyclopropylmethoxy)pyridazine-4-carboximidamide
CID 80514099
3-methoxypyridazine-4-carboximidamide
CID 80514231
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
3-(2-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80513986
2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
CID 82253313
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
3-(3,5-dimethoxyphenoxy)pyridazine-4-carboximidamide
CID 80514150

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxypyridazine-4-carboximidamide?
The IUPAC name of 3-phenylmethoxypyridazine-4-carboximidamide (CID 80514143) is 3-phenylmethoxypyridazine-4-carboximidamide.
What is the SMILES notation for 3-phenylmethoxypyridazine-4-carboximidamide?
The canonical SMILES for 3-phenylmethoxypyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxypyridazine-4-carboximidamide?
The InChIKey is XHPYLLATWTTWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-11(14)10-6-7-15-16-12(10)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,14).
What are the key properties of 3-phenylmethoxypyridazine-4-carboximidamide?
3-phenylmethoxypyridazine-4-carboximidamide has a molecular weight of 228.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxypyridazine-4-carboximidamide is sourced from PubChem (CID 80514143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).