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

C12H13N5S — CID 63613595

IUPAC5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)c2nccs2)c(C#N)c1C
InChIInChI=1S/C12H13N5S/c1-7-8(2)16-17-11(10(7)6-13)15-9(3)12-14-4-5-18-12/h4-5,9H,1-3H3,(H,15,17)
InChIKeyKTJOLZQUKPNDHQ-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.59
Rot. Bonds3

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

5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 63613595) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
PubChem CID63613595
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)c2nccs2)c(C#N)c1C
InChIInChI=1S/C12H13N5S/c1-7-8(2)16-17-11(10(7)6-13)15-9(3)12-14-4-5-18-12/h4-5,9H,1-3H3,(H,15,17)
InChIKeyKTJOLZQUKPNDHQ-UHFFFAOYSA-N
XLogP2.59
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 104577322
4,6-dimethyl-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63612589
5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 60968436
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47151232
5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
CID 47394896
5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile
CID 51125562
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
3-[(4-hydroxy-3-methylbutan-2-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 115644030
6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611566
5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611914
5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile
CID 115631606

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile (CID 63613595) is 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile is Cc1nnc(NC(C)c2nccs2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is KTJOLZQUKPNDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7-8(2)16-17-11(10(7)6-13)15-9(3)12-14-4-5-18-12/h4-5,9H,1-3H3,(H,15,17).
What are the key properties of 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 63613595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).