5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile

C16H26N4O — CID 103756843

IUPAC5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(O)C(CC)CC)c(C#N)c1CC
InChIInChI=1S/C16H26N4O/c1-5-11(6-2)15(21)10-18-16-13(9-17)12(7-3)14(8-4)19-20-16/h11,15,21H,5-8,10H2,1-4H3,(H,18,20)
InChIKeyREVJPWIWHQKJQS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds8

About 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile (PubChem CID 103756843) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
PubChem CID103756843
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(O)C(CC)CC)c(C#N)c1CC
InChIInChI=1S/C16H26N4O/c1-5-11(6-2)15(21)10-18-16-13(9-17)12(7-3)14(8-4)19-20-16/h11,15,21H,5-8,10H2,1-4H3,(H,18,20)
InChIKeyREVJPWIWHQKJQS-UHFFFAOYSA-N
XLogP2.68
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
CID 81065330
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
CID 133375206
5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile
CID 103757052
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile
CID 114749570
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile (CID 103756843) is 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile is CCc1nnc(NCC(O)C(CC)CC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile?
The InChIKey is REVJPWIWHQKJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-11(6-2)15(21)10-18-16-13(9-17)12(7-3)14(8-4)19-20-16/h11,15,21H,5-8,10H2,1-4H3,(H,18,20).
What are the key properties of 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile has a molecular weight of 290.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 103756843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).