6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine

C17H15N5O — CID 143611246

IUPAC6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine
SMILES[H]/N=C(\COc1ccncc1)n1nc(-c2ccccc2)cc/c1=N\[H]
InChIInChI=1S/C17H15N5O/c18-16-7-6-15(13-4-2-1-3-5-13)21-22(16)17(19)12-23-14-8-10-20-11-9-14/h1-11,18-19H,12H2/b18-16+,19-17+
InChIKeyDNXWYPONMAGXDJ-YWNVXTCZSA-N
MW305.34 g/mol
LogP2.33
Rot. Bonds4

About 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine

6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine (PubChem CID 143611246) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine.

Molecular Properties

Compound Name6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine
PubChem CID143611246
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine
SMILES[H]/N=C(\COc1ccncc1)n1nc(-c2ccccc2)cc/c1=N\[H]
InChIInChI=1S/C17H15N5O/c18-16-7-6-15(13-4-2-1-3-5-13)21-22(16)17(19)12-23-14-8-10-20-11-9-14/h1-11,18-19H,12H2/b18-16+,19-17+
InChIKeyDNXWYPONMAGXDJ-YWNVXTCZSA-N
XLogP2.33
TPSA87.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine
CID 143662608
2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine
CID 154445104
6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662814
[1,2,4]triazolo[4,3-a]pyridin-6-yl 6-imino-3-phenylpyridazine-1-carboximidothioate
CID 143662919
4-[6-imino-3-(4-phenoxyphenyl)pyridazin-1-yl]butanoic acid
CID 71467194
2-[2-[3-(5-bromopyrimidin-2-yl)phenyl]ethanimidoyl]-6-methoxypyridazin-3-imine
CID 89416158
1-(4-phenylimidazol-1-yl)butan-1-imine
CID 174528104
[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine
CID 143662647
1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
4-[6-imino-3-(4-prop-2-ynoxyphenyl)pyridazin-1-yl]butanoic acid
CID 56669888
11-(6-imino-3-phenylpyridazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)undecan-1-one
CID 10874781
5-(4-phenoxyphenyl)-1-(2,2,2-trifluoroethanimidoyl)pyrazin-2-imine
CID 130184369

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine?
The IUPAC name of 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine (CID 143611246) is 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine.
What is the SMILES notation for 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine?
The canonical SMILES for 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine is [H]/N=C(\COc1ccncc1)n1nc(-c2ccccc2)cc/c1=N\[H].
What is the InChIKey of 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine?
The InChIKey is DNXWYPONMAGXDJ-YWNVXTCZSA-N. The full InChI is InChI=1S/C17H15N5O/c18-16-7-6-15(13-4-2-1-3-5-13)21-22(16)17(19)12-23-14-8-10-20-11-9-14/h1-11,18-19H,12H2/b18-16+,19-17+.
What are the key properties of 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine?
6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine has a molecular weight of 305.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine is sourced from PubChem (CID 143611246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).