5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile

C13H18N4 — CID 113251743

IUPAC5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2(C)CCC2)c(C#N)c1C
InChIInChI=1S/C13H18N4/c1-9-10(2)16-17-12(11(9)7-14)15-8-13(3)5-4-6-13/h4-6,8H2,1-3H3,(H,15,17)
InChIKeyROTGTWRSQBDMGP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.57
Rot. Bonds3

About 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 113251743) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile
PubChem CID113251743
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2(C)CCC2)c(C#N)c1C
InChIInChI=1S/C13H18N4/c1-9-10(2)16-17-12(11(9)7-14)15-8-13(3)5-4-6-13/h4-6,8H2,1-3H3,(H,15,17)
InChIKeyROTGTWRSQBDMGP-UHFFFAOYSA-N
XLogP2.57
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 103753749
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 133459266
5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
CID 47280760
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
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
5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile
CID 106213572
3-[(2-ethyl-2-hydroxybutyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78982316
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide
CID 133295855
3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 115309041

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile (CID 113251743) is 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile is Cc1nnc(NCC2(C)CCC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is ROTGTWRSQBDMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-10(2)16-17-12(11(9)7-14)15-8-13(3)5-4-6-13/h4-6,8H2,1-3H3,(H,15,17).
What are the key properties of 5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.57, 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-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 113251743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).