N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide

C20H29N7O — CID 126922126

IUPACN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)C1
InChIInChI=1S/C20H29N7O/c1-24-10-4-7-15(11-24)20(28)25(2)16-12-26(13-16)18-9-8-17-21-22-19(27(17)23-18)14-5-3-6-14/h8-9,14-16H,3-7,10-13H2,1-2H3
InChIKeyLHHFHUXKUFBFEW-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide (PubChem CID 126922126) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide
PubChem CID126922126
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)C1
InChIInChI=1S/C20H29N7O/c1-24-10-4-7-15(11-24)20(28)25(2)16-12-26(13-16)18-9-8-17-21-22-19(27(17)23-18)14-5-3-6-14/h8-9,14-16H,3-7,10-13H2,1-2H3
InChIKeyLHHFHUXKUFBFEW-UHFFFAOYSA-N
XLogP1.38
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide
CID 126922102
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
CID 126922104
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 126922127
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone
CID 126921884
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 134161459
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126922208
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
CID 126922324
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide (CID 126922126) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide is CN1CCCC(C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)C1.
What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide?
The InChIKey is LHHFHUXKUFBFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-24-10-4-7-15(11-24)20(28)25(2)16-12-26(13-16)18-9-8-17-21-22-19(27(17)23-18)14-5-3-6-14/h8-9,14-16H,3-7,10-13H2,1-2H3.
What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide?
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 126922126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).