5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile

C13H15N5S — CID 80509164

IUPAC5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2nc(C)cs2)c(C#N)c1CC
InChIInChI=1S/C13H15N5S/c1-4-9-10(6-14)12(18-17-11(9)5-2)16-13-15-8(3)7-19-13/h7H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyVOQYBANCGMODAV-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.98
Rot. Bonds4

About 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile (PubChem CID 80509164) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile
PubChem CID80509164
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC Name5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2nc(C)cs2)c(C#N)c1CC
InChIInChI=1S/C13H15N5S/c1-4-9-10(6-14)12(18-17-11(9)5-2)16-13-15-8(3)7-19-13/h7H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyVOQYBANCGMODAV-UHFFFAOYSA-N
XLogP2.98
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile (CID 80509164) is 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile is CCc1nnc(Nc2nc(C)cs2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is VOQYBANCGMODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-4-9-10(6-14)12(18-17-11(9)5-2)16-13-15-8(3)7-19-13/h7H,4-5H2,1-3H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 273.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).