5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile

C16H26N4 — CID 115325591

IUPAC5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCCCC(C)C)c(C#N)c1CC
InChIInChI=1S/C16H26N4/c1-5-13-14(11-17)16(20-19-15(13)6-2)18-10-8-7-9-12(3)4/h12H,5-10H2,1-4H3,(H,18,20)
InChIKeyPCJZVOKQALGFAX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.71
Rot. Bonds8

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

5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile (PubChem CID 115325591) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
PubChem CID115325591
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCCCC(C)C)c(C#N)c1CC
InChIInChI=1S/C16H26N4/c1-5-13-14(11-17)16(20-19-15(13)6-2)18-10-8-7-9-12(3)4/h12H,5-10H2,1-4H3,(H,18,20)
InChIKeyPCJZVOKQALGFAX-UHFFFAOYSA-N
XLogP3.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
CID 115693754
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
5,6-diethyl-3-[3-(3-methylpiperidin-1-yl)propylamino]pyridazine-4-carbonitrile
CID 133374001

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile (CID 115325591) is 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile is CCc1nnc(NCCCCC(C)C)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile?
The InChIKey is PCJZVOKQALGFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-13-14(11-17)16(20-19-15(13)6-2)18-10-8-7-9-12(3)4/h12H,5-10H2,1-4H3,(H,18,20).
What are the key properties of 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile has a molecular weight of 274.41 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 115325591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).