3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile

C15H16N4 — CID 116973930

IUPAC3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
SMILESCc1ccc(-c2ccc(N(C)CCC#N)nn2)cc1
InChIInChI=1S/C15H16N4/c1-12-4-6-13(7-5-12)14-8-9-15(18-17-14)19(2)11-3-10-16/h4-9H,3,11H2,1-2H3
InChIKeyREEMWTHQMIIXHF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.80
Rot. Bonds4

About 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile

3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile (PubChem CID 116973930) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
PubChem CID116973930
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
SMILESCc1ccc(-c2ccc(N(C)CCC#N)nn2)cc1
InChIInChI=1S/C15H16N4/c1-12-4-6-13(7-5-12)14-8-9-15(18-17-14)19(2)11-3-10-16/h4-9H,3,11H2,1-2H3
InChIKeyREEMWTHQMIIXHF-UHFFFAOYSA-N
XLogP2.80
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile
CID 133381576
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973243
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973263
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116973901
4-[6-(diethylamino)pyridazin-3-yl]benzonitrile
CID 71528505
6-[2-cyanoethyl(methyl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133381589
[6-(2,4-dimethylphenyl)pyridazin-3-yl]-methylcyanamide
CID 116973781
2-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]acetonitrile
CID 116973883
2-[2-cyanoethyl(methyl)amino]-5-methylbenzonitrile
CID 107926782

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile (CID 116973930) is 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile is Cc1ccc(-c2ccc(N(C)CCC#N)nn2)cc1.
What is the InChIKey of 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile?
The InChIKey is REEMWTHQMIIXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-12-4-6-13(7-5-12)14-8-9-15(18-17-14)19(2)11-3-10-16/h4-9H,3,11H2,1-2H3.
What are the key properties of 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile?
3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile has a molecular weight of 252.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile is sourced from PubChem (CID 116973930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).