N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide

C21H24N6O — CID 134801628

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C21H24N6O/c1-14-5-2-3-7-17(14)21(28)22-16-6-4-12-26(13-16)19-11-10-18-23-24-20(15-8-9-15)27(18)25-19/h2-3,5,7,10-11,15-16H,4,6,8-9,12-13H2,1H3,(H,22,28)
InChIKeyQSZZBIYBAUCXKY-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide (PubChem CID 134801628) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide
PubChem CID134801628
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C21H24N6O/c1-14-5-2-3-7-17(14)21(28)22-16-6-4-12-26(13-16)19-11-10-18-23-24-20(15-8-9-15)27(18)25-19/h2-3,5,7,10-11,15-16H,4,6,8-9,12-13H2,1H3,(H,22,28)
InChIKeyQSZZBIYBAUCXKY-UHFFFAOYSA-N
XLogP2.71
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 134802149
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
CID 134802200
CID 134801555
CID 134801555
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133294308
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 127447427
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2-phenylacetamide
CID 134802364
(2-chlorophenyl)-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134803166
N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653402
(3R)-N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310132
3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133308216
1-(4-chlorophenyl)-3-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]urea
CID 134802292
3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1,1-dimethylurea
CID 154736318

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide (CID 134801628) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCCN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide?
The InChIKey is QSZZBIYBAUCXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-5-2-3-7-17(14)21(28)22-16-6-4-12-26(13-16)19-11-10-18-23-24-20(15-8-9-15)27(18)25-19/h2-3,5,7,10-11,15-16H,4,6,8-9,12-13H2,1H3,(H,22,28).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 134801628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).