3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile

C15H20N4 — CID 62734597

IUPAC3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC2CC3CCC2C3)c(C#N)c1C
InChIInChI=1S/C15H20N4/c1-9-10(2)18-19-15(14(9)7-16)17-8-13-6-11-3-4-12(13)5-11/h11-13H,3-6,8H2,1-2H3,(H,17,19)
InChIKeyIALZVIBISJETPQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.81
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile

3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 62734597) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID62734597
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC2CC3CCC2C3)c(C#N)c1C
InChIInChI=1S/C15H20N4/c1-9-10(2)18-19-15(14(9)7-16)17-8-13-6-11-3-4-12(13)5-11/h11-13H,3-6,8H2,1-2H3,(H,17,19)
InChIKeyIALZVIBISJETPQ-UHFFFAOYSA-N
XLogP2.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
CID 47280760
5-(2-bicyclo[2.2.1]heptanylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757854
5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile
CID 47184936
5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
CID 31535231
5,6-dimethyl-3-[[(2R)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
CID 31535232
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 167762282
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80817925
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 126796537
2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile
CID 107057745
5,6-dimethyl-3-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyridazine-4-carbonitrile
CID 128992027

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile (CID 62734597) is 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCC2CC3CCC2C3)c(C#N)c1C.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is IALZVIBISJETPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-9-10(2)18-19-15(14(9)7-16)17-8-13-6-11-3-4-12(13)5-11/h11-13H,3-6,8H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 62734597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).