[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide

C14H14N4O — CID 116971727

IUPAC[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide
SMILESCCc1cc(-c2ccc(NC#N)nn2)ccc1OC
InChIInChI=1S/C14H14N4O/c1-3-10-8-11(4-6-13(10)19-2)12-5-7-14(16-9-15)18-17-12/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyLYDXYOPLYBTETM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.61
Rot. Bonds4

About [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide

[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide (PubChem CID 116971727) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide.

Molecular Properties

Compound Name[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide
PubChem CID116971727
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide
SMILESCCc1cc(-c2ccc(NC#N)nn2)ccc1OC
InChIInChI=1S/C14H14N4O/c1-3-10-8-11(4-6-13(10)19-2)12-5-7-14(16-9-15)18-17-12/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyLYDXYOPLYBTETM-UHFFFAOYSA-N
XLogP2.61
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971838
[6-(4-propylphenyl)pyridazin-3-yl]cyanamide
CID 116971705
6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827233
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
2-(3-ethyl-4-methoxyanilino)acetonitrile
CID 115130737
[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide
CID 116973776
N'-[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970469
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol
CID 116971250
6-(3-ethyl-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854258
2-[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883145
N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine
CID 19385488

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide?
The IUPAC name of [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide (CID 116971727) is [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide.
What is the SMILES notation for [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide?
The canonical SMILES for [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide is CCc1cc(-c2ccc(NC#N)nn2)ccc1OC.
What is the InChIKey of [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide?
The InChIKey is LYDXYOPLYBTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-10-8-11(4-6-13(10)19-2)12-5-7-14(16-9-15)18-17-12/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide?
[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide has a molecular weight of 254.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide is sourced from PubChem (CID 116971727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).