3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C13H20N4 — CID 61095860

IUPAC3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCC(C)N(CC)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C13H20N4/c1-6-9(3)17(7-2)13-12(8-14)10(4)11(5)15-16-13/h9H,6-7H2,1-5H3
InChIKeyUUKIEOQHCLRJLT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.59
Rot. Bonds4

About 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 61095860) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID61095860
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCC(C)N(CC)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C13H20N4/c1-6-9(3)17(7-2)13-12(8-14)10(4)11(5)15-16-13/h9H,6-7H2,1-5H3
InChIKeyUUKIEOQHCLRJLT-UHFFFAOYSA-N
XLogP2.59
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetic acid
CID 80507922
methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate
CID 55006851
5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile
CID 112659522
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-ethylamino]acetamide
CID 103102432
3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 60732000
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methylpropyl)amino]acetic acid
CID 80508465
3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514896
3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514923
3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515273
5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile
CID 66277183
2-[tert-butyl-(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetic acid
CID 80508111
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-methylamino]-2-methylpropanoic acid
CID 80508621

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 61095860) is 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is CCC(C)N(CC)c1nnc(C)c(C)c1C#N.
What is the InChIKey of 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is UUKIEOQHCLRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-6-9(3)17(7-2)13-12(8-14)10(4)11(5)15-16-13/h9H,6-7H2,1-5H3.
What are the key properties of 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 61095860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).