3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C15H16N4O — CID 31535514

IUPAC3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1cccc(CNc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C15H16N4O/c1-10-11(2)18-19-15(14(10)8-16)17-9-12-5-4-6-13(7-12)20-3/h4-7H,9H2,1-3H3,(H,17,19)
InChIKeySNBWQSOAZZZMAI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds4

About 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 31535514) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID31535514
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1cccc(CNc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C15H16N4O/c1-10-11(2)18-19-15(14(10)8-16)17-9-12-5-4-6-13(7-12)20-3/h4-7H,9H2,1-3H3,(H,17,19)
InChIKeySNBWQSOAZZZMAI-UHFFFAOYSA-N
XLogP2.59
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
3-[[4-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 107232346
3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 47282315
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
2-bromo-6-[(3-methoxyphenyl)methylamino]benzonitrile
CID 114880674
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
3-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133314857
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103431171

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 31535514) is 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile is COc1cccc(CNc2nnc(C)c(C)c2C#N)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is SNBWQSOAZZZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-11(2)18-19-15(14(10)8-16)17-9-12-5-4-6-13(7-12)20-3/h4-7H,9H2,1-3H3,(H,17,19).
What are the key properties of 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 31535514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).