6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile

C22H24N8O — CID 123869673

IUPAC6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCCC(C)C2CNc2ccc(C#N)nn2)c1
InChIInChI=1S/C22H24N8O/c1-15-5-7-19(30-25-9-10-26-30)18(12-15)22(31)29-11-3-4-16(2)20(29)14-24-21-8-6-17(13-23)27-28-21/h5-10,12,16,20H,3-4,11,14H2,1-2H3,(H,24,28)
InChIKeyDSNITHVCCIMLAP-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.59
Rot. Bonds5

About 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile

6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile (PubChem CID 123869673) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile
PubChem CID123869673
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCCC(C)C2CNc2ccc(C#N)nn2)c1
InChIInChI=1S/C22H24N8O/c1-15-5-7-19(30-25-9-10-26-30)18(12-15)22(31)29-11-3-4-16(2)20(29)14-24-21-8-6-17(13-23)27-28-21/h5-10,12,16,20H,3-4,11,14H2,1-2H3,(H,24,28)
InChIKeyDSNITHVCCIMLAP-UHFFFAOYSA-N
XLogP2.59
TPSA112.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile with MolForge

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Related Compounds

[(3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 129025807
[2-[[(5-cyclopropyl-2-pyridinyl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 123139126
[(2S)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 144903031
[(3R)-2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 129025533
[5-chloro-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]methanone
CID 123574435
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 129025952
[5-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123244107
[2-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(4-methyltriazol-2-yl)phenyl]methanone
CID 123144165
[5-methyl-2-(4-methyltriazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025841
[5-methyl-2-(4-methyltriazol-2-yl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123640803
6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile
CID 123678770
[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 123566182

Frequently Asked Questions

What is the IUPAC name of 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile (CID 123869673) is 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile is Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(C)C2CNc2ccc(C#N)nn2)c1.
What is the InChIKey of 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile?
The InChIKey is DSNITHVCCIMLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-15-5-7-19(30-25-9-10-26-30)18(12-15)22(31)29-11-3-4-16(2)20(29)14-24-21-8-6-17(13-23)27-28-21/h5-10,12,16,20H,3-4,11,14H2,1-2H3,(H,24,28).
What are the key properties of 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile?
6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile has a molecular weight of 416.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 123869673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).