5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile

C12H16N4 — CID 47280760

IUPAC5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2CC2C)c(C#N)c1C
InChIInChI=1S/C12H16N4/c1-7-4-10(7)6-14-12-11(5-13)8(2)9(3)15-16-12/h7,10H,4,6H2,1-3H3,(H,14,16)
InChIKeyKBPJFVSKPJHELN-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.03
Rot. Bonds3

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

5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 47280760) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
PubChem CID47280760
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2CC2C)c(C#N)c1C
InChIInChI=1S/C12H16N4/c1-7-4-10(7)6-14-12-11(5-13)8(2)9(3)15-16-12/h7,10H,4,6H2,1-3H3,(H,14,16)
InChIKeyKBPJFVSKPJHELN-UHFFFAOYSA-N
XLogP2.03
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62734597
3-[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 129001933
5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
CID 31535231
5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile
CID 47184936
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
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 167762282
5,6-dimethyl-3-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyridazine-4-carbonitrile
CID 128992027
5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile
CID 113251743
3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 126796537
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile (CID 47280760) is 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile is Cc1nnc(NCC2CC2C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is KBPJFVSKPJHELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-7-4-10(7)6-14-12-11(5-13)8(2)9(3)15-16-12/h7,10H,4,6H2,1-3H3,(H,14,16).
What are the key properties of 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 47280760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).