3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile

C9H12N4S — CID 133381576

IUPAC3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile
SMILESCSc1ccc(N(C)CCC#N)nn1
InChIInChI=1S/C9H12N4S/c1-13(7-3-6-10)8-4-5-9(14-2)12-11-8/h4-5H,3,7H2,1-2H3
InChIKeyBTVLLHPOBLRAJV-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.55
Rot. Bonds4

About 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile

3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile (PubChem CID 133381576) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile
PubChem CID133381576
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile
SMILESCSc1ccc(N(C)CCC#N)nn1
InChIInChI=1S/C9H12N4S/c1-13(7-3-6-10)8-4-5-9(14-2)12-11-8/h4-5H,3,7H2,1-2H3
InChIKeyBTVLLHPOBLRAJV-UHFFFAOYSA-N
XLogP1.55
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,N'-trimethyl-N'-(6-methylsulfanylpyridazin-3-yl)ethane-1,2-diamine
CID 133356168
3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116973930
N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide
CID 133303912
N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine
CID 99807689
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile
CID 136516347
3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile
CID 105362232
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
3-[4-(bromomethyl)-2-chloro-N-methylanilino]propanenitrile
CID 107079503
3-[[5-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]propanenitrile
CID 116977982
3-[cinnolin-4-yl(methyl)amino]propanenitrile
CID 63588442
2-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]acetonitrile
CID 116973883
3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 61234578

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile (CID 133381576) is 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile is CSc1ccc(N(C)CCC#N)nn1.
What is the InChIKey of 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile?
The InChIKey is BTVLLHPOBLRAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13(7-3-6-10)8-4-5-9(14-2)12-11-8/h4-5H,3,7H2,1-2H3.
What are the key properties of 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile?
3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile has a molecular weight of 208.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile is sourced from PubChem (CID 133381576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).