5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile

C15H18N4S — CID 80509194

IUPAC5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)Cc2cccs2)c(C#N)c1CC
InChIInChI=1S/C15H18N4S/c1-4-12-13(9-16)15(18-17-14(12)5-2)19(3)10-11-7-6-8-20-11/h6-8H,4-5,10H2,1-3H3
InChIKeyHBTIIJRLBYQDEI-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.17
Rot. Bonds5

About 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile (PubChem CID 80509194) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile
PubChem CID80509194
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)Cc2cccs2)c(C#N)c1CC
InChIInChI=1S/C15H18N4S/c1-4-12-13(9-16)15(18-17-14(12)5-2)19(3)10-11-7-6-8-20-11/h6-8H,4-5,10H2,1-3H3
InChIKeyHBTIIJRLBYQDEI-UHFFFAOYSA-N
XLogP3.17
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]pyridazine-4-carbonitrile
CID 133373741
5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile
CID 80509404
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile
CID 80508574
2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 114880619
5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile
CID 115693664
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379420
4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
CID 55040840
2-bromo-6-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 114881184
5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751809
2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide
CID 103102403
2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 107933368

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile (CID 80509194) is 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile is CCc1nnc(N(C)Cc2cccs2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is HBTIIJRLBYQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-4-12-13(9-16)15(18-17-14(12)5-2)19(3)10-11-7-6-8-20-11/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 286.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).