3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C17H21N5 — CID 133385902

IUPAC3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N(C)Cc2cccc(N(C)C)c2)c(C#N)c1C
InChIInChI=1S/C17H21N5/c1-12-13(2)19-20-17(16(12)10-18)22(5)11-14-7-6-8-15(9-14)21(3)4/h6-9H,11H2,1-5H3
InChIKeyXYFZIGWIINUNPN-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.67
Rot. Bonds4

About 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133385902) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133385902
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N(C)Cc2cccc(N(C)C)c2)c(C#N)c1C
InChIInChI=1S/C17H21N5/c1-12-13(2)19-20-17(16(12)10-18)22(5)11-14-7-6-8-15(9-14)21(3)4/h6-9H,11H2,1-5H3
InChIKeyXYFZIGWIINUNPN-UHFFFAOYSA-N
XLogP2.67
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile
CID 133385857
3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 60732000
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133275077
5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 133307673
3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535776
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-methylamino]-2-methylpropanoic acid
CID 80508621
5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide
CID 133385930
2-[[3-(dimethylamino)phenyl]methyl-methylamino]-5-nitrobenzonitrile
CID 133385731
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
methyl 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)-methylamino]butanoate
CID 55006947

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 133385902) is 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N(C)Cc2cccc(N(C)C)c2)c(C#N)c1C.
What is the InChIKey of 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is XYFZIGWIINUNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-13(2)19-20-17(16(12)10-18)22(5)11-14-7-6-8-15(9-14)21(3)4/h6-9H,11H2,1-5H3.
What are the key properties of 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133385902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).