4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide

C18H19ClN6O — CID 134801544

IUPAC4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
SMILESCc1nnc2ccc(N3CCC(NC(=O)c4ccc(Cl)cc4)CC3)nn12
InChIInChI=1S/C18H19ClN6O/c1-12-21-22-16-6-7-17(23-25(12)16)24-10-8-15(9-11-24)20-18(26)13-2-4-14(19)5-3-13/h2-7,15H,8-11H2,1H3,(H,20,26)
InChIKeyGNQCVYPSHJUGGY-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.48
Rot. Bonds3

About 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide

4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide (PubChem CID 134801544) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
PubChem CID134801544
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
SMILESCc1nnc2ccc(N3CCC(NC(=O)c4ccc(Cl)cc4)CC3)nn12
InChIInChI=1S/C18H19ClN6O/c1-12-21-22-16-6-7-17(23-25(12)16)24-10-8-15(9-11-24)20-18(26)13-2-4-14(19)5-3-13/h2-7,15H,8-11H2,1H3,(H,20,26)
InChIKeyGNQCVYPSHJUGGY-UHFFFAOYSA-N
XLogP2.48
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 134801995
N-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 171714416
4-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134803479
1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 50783122
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074495
1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea
CID 134803797
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
(3R)-N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310132
N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653402
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133294308
CID 134801667
CID 134801667
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide (CID 134801544) is 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide is Cc1nnc2ccc(N3CCC(NC(=O)c4ccc(Cl)cc4)CC3)nn12.
What is the InChIKey of 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide?
The InChIKey is GNQCVYPSHJUGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-12-21-22-16-6-7-17(23-25(12)16)24-10-8-15(9-11-24)20-18(26)13-2-4-14(19)5-3-13/h2-7,15H,8-11H2,1H3,(H,20,26).
What are the key properties of 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide?
4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide has a molecular weight of 370.84 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 134801544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).