5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile

C18H29N5 — CID 133374001

IUPAC5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCCN2CCCC(C)C2)c(C#N)c1CC
InChIInChI=1S/C18H29N5/c1-4-15-16(12-19)18(22-21-17(15)5-2)20-9-7-11-23-10-6-8-14(3)13-23/h14H,4-11,13H2,1-3H3,(H,20,22)
InChIKeyRJQBFIKJEPGWGU-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.01
Rot. Bonds7

About 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile (PubChem CID 133374001) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile
PubChem CID133374001
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCCN2CCCC(C)C2)c(C#N)c1CC
InChIInChI=1S/C18H29N5/c1-4-15-16(12-19)18(22-21-17(15)5-2)20-9-7-11-23-10-6-8-14(3)13-23/h14H,4-11,13H2,1-3H3,(H,20,22)
InChIKeyRJQBFIKJEPGWGU-UHFFFAOYSA-N
XLogP3.01
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 80504642
5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile
CID 80509599
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504517
3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133374126
5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515330
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
CID 80510567
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile (CID 133374001) is 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile is CCc1nnc(NCCCN2CCCC(C)C2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile?
The InChIKey is RJQBFIKJEPGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-4-15-16(12-19)18(22-21-17(15)5-2)20-9-7-11-23-10-6-8-14(3)13-23/h14H,4-11,13H2,1-3H3,(H,20,22).
What are the key properties of 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile has a molecular weight of 315.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133374001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).