5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile

C13H15N5S — CID 104577322

IUPAC5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)c2nccs2)c(C#N)c1C
InChIInChI=1S/C13H15N5S/c1-8(13-15-4-5-19-13)7-16-12-11(6-14)9(2)10(3)17-18-12/h4-5,8H,7H2,1-3H3,(H,16,18)
InChIKeyWTLCSSPXISLHOV-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.64
Rot. Bonds4

About 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile (PubChem CID 104577322) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
PubChem CID104577322
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)c2nccs2)c(C#N)c1C
InChIInChI=1S/C13H15N5S/c1-8(13-15-4-5-19-13)7-16-12-11(6-14)9(2)10(3)17-18-12/h4-5,8H,7H2,1-3H3,(H,16,18)
InChIKeyWTLCSSPXISLHOV-UHFFFAOYSA-N
XLogP2.64
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 63613595
4,6-dimethyl-2-[[(2S)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616325
4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616324
6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile
CID 104577151
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
2-fluoro-6-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 104577319
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
3-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 114127699
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
2-[[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 80508263
N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
CID 104577253
2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104577235

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile (CID 104577322) is 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile is Cc1nnc(NCC(C)c2nccs2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile?
The InChIKey is WTLCSSPXISLHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-8(13-15-4-5-19-13)7-16-12-11(6-14)9(2)10(3)17-18-12/h4-5,8H,7H2,1-3H3,(H,16,18).
What are the key properties of 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile has a molecular weight of 273.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 104577322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).