5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile

C12H16N4O — CID 31535231

IUPAC5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@@H]2CCCO2)c(C#N)c1C
InChIInChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)6-13)14-7-10-4-3-5-17-10/h10H,3-5,7H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyZOMQZZGMUZPOSJ-JTQLQIEISA-N
MW232.29 g/mol
LogP1.56
Rot. Bonds3

About 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile (PubChem CID 31535231) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
PubChem CID31535231
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@@H]2CCCO2)c(C#N)c1C
InChIInChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)6-13)14-7-10-4-3-5-17-10/h10H,3-5,7H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyZOMQZZGMUZPOSJ-JTQLQIEISA-N
XLogP1.56
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-[[(2R)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
CID 31535232
3-[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 129001933
5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile
CID 94435731
3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 167762282
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 133459266
3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 125141337
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide
CID 133295855
5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 103753749
3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 126796537
2-methyl-6-(oxan-2-ylmethylamino)benzonitrile
CID 114003060
3-[[(2R)-oxolan-2-yl]methylamino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 29072194

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile (CID 31535231) is 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile is Cc1nnc(NC[C@@H]2CCCO2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile?
The InChIKey is ZOMQZZGMUZPOSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)6-13)14-7-10-4-3-5-17-10/h10H,3-5,7H2,1-2H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 31535231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).