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

C15H23N5 — CID 80515022

IUPAC5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)C2CCCNC2)c(C#N)c1CC
InChIInChI=1S/C15H23N5/c1-4-12-13(9-16)15(19-18-14(12)5-2)20(3)11-7-6-8-17-10-11/h11,17H,4-8,10H2,1-3H3
InChIKeyHWFLWPWOMDNTDP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.66
Rot. Bonds4

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

5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile (PubChem CID 80515022) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile
PubChem CID80515022
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)C2CCCNC2)c(C#N)c1CC
InChIInChI=1S/C15H23N5/c1-4-12-13(9-16)15(19-18-14(12)5-2)20(3)11-7-6-8-17-10-11/h11,17H,4-8,10H2,1-3H3
InChIKeyHWFLWPWOMDNTDP-UHFFFAOYSA-N
XLogP1.66
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515330
5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
CID 80515149
5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile
CID 80515689
5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile
CID 80515153
3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80510365
5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516280
3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504557
5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile
CID 112659545
3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80510443
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
CID 80510909
2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63641993
5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 114469309

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile (CID 80515022) is 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile is CCc1nnc(N(C)C2CCCNC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is HWFLWPWOMDNTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-12-13(9-16)15(19-18-14(12)5-2)20(3)11-7-6-8-17-10-11/h11,17H,4-8,10H2,1-3H3.
What are the key properties of 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).