5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile

C18H18N6 — CID 36617158

IUPAC5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ccccc2Cn2cccn2)c(C#N)c1C
InChIInChI=1S/C18H18N6/c1-13-14(2)22-23-18(17(13)10-19)20-11-15-6-3-4-7-16(15)12-24-9-5-8-21-24/h3-9H,11-12H2,1-2H3,(H,20,23)
InChIKeyBFVYMRLUQJFDAJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.82
Rot. Bonds5

About 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile (PubChem CID 36617158) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile
PubChem CID36617158
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ccccc2Cn2cccn2)c(C#N)c1C
InChIInChI=1S/C18H18N6/c1-13-14(2)22-23-18(17(13)10-19)20-11-15-6-3-4-7-16(15)12-24-9-5-8-21-24/h3-9H,11-12H2,1-2H3,(H,20,23)
InChIKeyBFVYMRLUQJFDAJ-UHFFFAOYSA-N
XLogP2.82
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 56821491
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 47282315
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 72863266
3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133289685
3-[(4-chlorophenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535199
3-[[4-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 107232346
5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile
CID 31536591
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile
CID 71880268
3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 167799475

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile (CID 36617158) is 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile is Cc1nnc(NCc2ccccc2Cn2cccn2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile?
The InChIKey is BFVYMRLUQJFDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-13-14(2)22-23-18(17(13)10-19)20-11-15-6-3-4-7-16(15)12-24-9-5-8-21-24/h3-9H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 36617158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).