3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile

C16H18N4O — CID 133285431

IUPAC3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCOCc1cccc(Nc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H18N4O/c1-4-21-10-13-6-5-7-14(8-13)18-16-15(9-17)11(2)12(3)19-20-16/h5-8H,4,10H2,1-3H3,(H,18,20)
InChIKeyLMBURXDXVSWVMV-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.25
Rot. Bonds5

About 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile

3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133285431) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133285431
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCOCc1cccc(Nc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H18N4O/c1-4-21-10-13-6-5-7-14(8-13)18-16-15(9-17)11(2)12(3)19-20-16/h5-8H,4,10H2,1-3H3,(H,18,20)
InChIKeyLMBURXDXVSWVMV-UHFFFAOYSA-N
XLogP3.25
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
5,6-dimethyl-3-[3-(3,3,3-trifluoropropyl)anilino]pyridazine-4-carbonitrile
CID 133347707
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096638
3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535514
3-(4-bromo-3,5-dimethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 107574599
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
CID 107585528
5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
CID 62783443
3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097247
2-bromo-5-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]benzoic acid
CID 115296144
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile (CID 133285431) is 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile is CCOCc1cccc(Nc2nnc(C)c(C)c2C#N)c1.
What is the InChIKey of 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is LMBURXDXVSWVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-21-10-13-6-5-7-14(8-13)18-16-15(9-17)11(2)12(3)19-20-16/h5-8H,4,10H2,1-3H3,(H,18,20).
What are the key properties of 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethoxymethyl)anilino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133285431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).