5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile

C17H16N6 — CID 71880268

IUPAC5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ncc(-c3ccccc3)[nH]2)c(C#N)c1C
InChIInChI=1S/C17H16N6/c1-11-12(2)22-23-17(14(11)8-18)20-10-16-19-9-15(21-16)13-6-4-3-5-7-13/h3-7,9H,10H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyDKVANMWWDWAMFM-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.97
Rot. Bonds4

About 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile (PubChem CID 71880268) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile
PubChem CID71880268
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ncc(-c3ccccc3)[nH]2)c(C#N)c1C
InChIInChI=1S/C17H16N6/c1-11-12(2)22-23-17(14(11)8-18)20-10-16-19-9-15(21-16)13-6-4-3-5-7-13/h3-7,9H,10H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyDKVANMWWDWAMFM-UHFFFAOYSA-N
XLogP2.97
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)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

N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
3-[[4-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 107232346
3-[(4-chlorophenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535199
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 47282315
5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile
CID 133348775
5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile
CID 36617158
3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535514
3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 167799475
5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 133482502

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile (CID 71880268) is 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile is Cc1nnc(NCc2ncc(-c3ccccc3)[nH]2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is DKVANMWWDWAMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-11-12(2)22-23-17(14(11)8-18)20-10-16-19-9-15(21-16)13-6-4-3-5-7-13/h3-7,9H,10H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 304.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 71880268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).