5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile

C13H14N6 — CID 133307673

IUPAC5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N(C)Cc2cnccn2)c(C#N)c1C
InChIInChI=1S/C13H14N6/c1-9-10(2)17-18-13(12(9)6-14)19(3)8-11-7-15-4-5-16-11/h4-5,7H,8H2,1-3H3
InChIKeyYVYDXKQVVFQVJQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.39
Rot. Bonds3

About 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile (PubChem CID 133307673) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile
PubChem CID133307673
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N(C)Cc2cnccn2)c(C#N)c1C
InChIInChI=1S/C13H14N6/c1-9-10(2)17-18-13(12(9)6-14)19(3)8-11-7-15-4-5-16-11/h4-5,7H,8H2,1-3H3
InChIKeyYVYDXKQVVFQVJQ-UHFFFAOYSA-N
XLogP1.39
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133385902
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133275077
3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535776
3,5-difluoro-4-[methyl(pyrazin-2-ylmethyl)amino]benzonitrile
CID 133449033
N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133433814
1-methyl-1-(pyrazin-2-ylmethyl)hydrazine
CID 169495103
methyl 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)-methylamino]butanoate
CID 55006947
3-fluoro-4-[methyl(pyrazin-2-ylmethyl)amino]benzonitrile
CID 133433914
3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 60732000
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133433792
3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 61095860

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile (CID 133307673) is 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile is Cc1nnc(N(C)Cc2cnccn2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is YVYDXKQVVFQVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-10(2)17-18-13(12(9)6-14)19(3)8-11-7-15-4-5-16-11/h4-5,7H,8H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133307673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).