5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile

C14H22N4 — CID 80501749

IUPAC5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NC(CC)CC)c(C#N)c1CC
InChIInChI=1S/C14H22N4/c1-5-10(6-2)16-14-12(9-15)11(7-3)13(8-4)17-18-14/h10H,5-8H2,1-4H3,(H,16,18)
InChIKeyJCSCERHCWSIFTJ-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.07
Rot. Bonds6

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

5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile (PubChem CID 80501749) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
PubChem CID80501749
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NC(CC)CC)c(C#N)c1CC
InChIInChI=1S/C14H22N4/c1-5-10(6-2)16-14-12(9-15)11(7-3)13(8-4)17-18-14/h10H,5-8H2,1-4H3,(H,16,18)
InChIKeyJCSCERHCWSIFTJ-UHFFFAOYSA-N
XLogP3.07
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80510272
5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 80509663
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
CID 103756843
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid
CID 80508678
5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 80504642
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 106738206
5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile
CID 80504752
5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
CID 80514429
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile (CID 80501749) is 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile is CCc1nnc(NC(CC)CC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile?
The InChIKey is JCSCERHCWSIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-10(6-2)16-14-12(9-15)11(7-3)13(8-4)17-18-14/h10H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80501749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).