6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile

C14H14N4O — CID 133419821

IUPAC6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile
SMILESCOc1cc(C)ccc1CNc1ccc(C#N)nn1
InChIInChI=1S/C14H14N4O/c1-10-3-4-11(13(7-10)19-2)9-16-14-6-5-12(8-15)17-18-14/h3-7H,9H2,1-2H3,(H,16,18)
InChIKeyXYIRHFVZOOXJIQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.28
Rot. Bonds4

About 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile

6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile (PubChem CID 133419821) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile
PubChem CID133419821
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile
SMILESCOc1cc(C)ccc1CNc1ccc(C#N)nn1
InChIInChI=1S/C14H14N4O/c1-10-3-4-11(13(7-10)19-2)9-16-14-6-5-12(8-15)17-18-14/h3-7H,9H2,1-2H3,(H,16,18)
InChIKeyXYIRHFVZOOXJIQ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143301
2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
CID 63362795
5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
CID 133347394
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
CID 133490921
5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491293
N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
CID 57476570
6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile
CID 133418268
5-[(2,4-dimethoxyphenyl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757687
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191
2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 63362749
5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491288
5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile (CID 133419821) is 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile is COc1cc(C)ccc1CNc1ccc(C#N)nn1.
What is the InChIKey of 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile?
The InChIKey is XYIRHFVZOOXJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-3-4-11(13(7-10)19-2)9-16-14-6-5-12(8-15)17-18-14/h3-7H,9H2,1-2H3,(H,16,18).
What are the key properties of 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile?
6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).