5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile

C15H23N5 — CID 80515149

IUPAC5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2CCCNC2)c(C#N)c1CC
InChIInChI=1S/C15H23N5/c1-3-12-13(8-16)15(20-19-14(12)4-2)18-10-11-6-5-7-17-9-11/h11,17H,3-7,9-10H2,1-2H3,(H,18,20)
InChIKeyAVPURMWWRVWCGH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.88
Rot. Bonds5

About 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 80515149) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID80515149
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2CCCNC2)c(C#N)c1CC
InChIInChI=1S/C15H23N5/c1-3-12-13(8-16)15(20-19-14(12)4-2)18-10-11-6-5-7-17-9-11/h11,17H,3-7,9-10H2,1-2H3,(H,18,20)
InChIKeyAVPURMWWRVWCGH-UHFFFAOYSA-N
XLogP1.88
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile
CID 80515689
5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515330
5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 106130804
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80508506
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile
CID 80509599
3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 105417878
3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 104858530
5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595061
3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 106738206

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile (CID 80515149) is 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile is CCc1nnc(NCC2CCCNC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is AVPURMWWRVWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-12-13(8-16)15(20-19-14(12)4-2)18-10-11-6-5-7-17-9-11/h11,17H,3-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80515149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).