5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile

C15H18N4S — CID 80509551

IUPAC5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2ccc(C)s2)c(C#N)c1CC
InChIInChI=1S/C15H18N4S/c1-4-12-13(8-16)15(19-18-14(12)5-2)17-9-11-7-6-10(3)20-11/h6-7H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyQNFJRLRCNZJUEP-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.46
Rot. Bonds5

About 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80509551) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile
PubChem CID80509551
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2ccc(C)s2)c(C#N)c1CC
InChIInChI=1S/C15H18N4S/c1-4-12-13(8-16)15(19-18-14(12)5-2)17-9-11-7-6-10(3)20-11/h6-7H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyQNFJRLRCNZJUEP-UHFFFAOYSA-N
XLogP3.46
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile
CID 103757119
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
CID 80508640
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile
CID 133439815
5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile
CID 114694557
3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133373058
3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133374052
5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 133360375
5,6-diethyl-3-[(2-hydroxy-3-methoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 133361154
3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133374126

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile (CID 80509551) is 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile is CCc1nnc(NCc2ccc(C)s2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is QNFJRLRCNZJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-4-12-13(8-16)15(19-18-14(12)5-2)17-9-11-7-6-10(3)20-11/h6-7H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 286.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).