[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide

C14H14N4O — CID 116973776

IUPAC[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide
SMILESCOc1ccc(-c2ccc(N(C)C#N)nn2)cc1C
InChIInChI=1S/C14H14N4O/c1-10-8-11(4-6-13(10)19-3)12-5-7-14(17-16-12)18(2)9-15/h4-8H,1-3H3
InChIKeySTBWIPTUOLVBGC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.38
Rot. Bonds3

About [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide

[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide (PubChem CID 116973776) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide.

Molecular Properties

Compound Name[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide
PubChem CID116973776
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide
SMILESCOc1ccc(-c2ccc(N(C)C#N)nn2)cc1C
InChIInChI=1S/C14H14N4O/c1-10-8-11(4-6-13(10)19-3)12-5-7-14(17-16-12)18(2)9-15/h4-8H,1-3H3
InChIKeySTBWIPTUOLVBGC-UHFFFAOYSA-N
XLogP2.38
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
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

[6-(2,4-dimethylphenyl)pyridazin-3-yl]-methylcyanamide
CID 116973781
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
CID 82192593
methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide
CID 116973807
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
[6-(3-ethyl-4-methoxyphenyl)pyridazin-3-yl]cyanamide
CID 116971727
2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile
CID 82044296
3-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 160614606
[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971838
4-(4-methoxy-3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135465859

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide?
The IUPAC name of [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide (CID 116973776) is [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide.
What is the SMILES notation for [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide?
The canonical SMILES for [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide is COc1ccc(-c2ccc(N(C)C#N)nn2)cc1C.
What is the InChIKey of [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide?
The InChIKey is STBWIPTUOLVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-8-11(4-6-13(10)19-3)12-5-7-14(17-16-12)18(2)9-15/h4-8H,1-3H3.
What are the key properties of [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide?
[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide has a molecular weight of 254.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide is sourced from PubChem (CID 116973776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).