[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone

C19H24N6O2 — CID 133489193

IUPAC[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCC(C)(C)c1nnc2ccc(NC3CCN(C(=O)c4ccoc4)CC3)nn12
InChIInChI=1S/C19H24N6O2/c1-19(2,3)18-22-21-16-5-4-15(23-25(16)18)20-14-6-9-24(10-7-14)17(26)13-8-11-27-12-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H,20,23)
InChIKeyWAKBKFOCRLIQJP-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.73
Rot. Bonds3

About [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone

[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 133489193) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID133489193
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCC(C)(C)c1nnc2ccc(NC3CCN(C(=O)c4ccoc4)CC3)nn12
InChIInChI=1S/C19H24N6O2/c1-19(2,3)18-22-21-16-5-4-15(23-25(16)18)20-14-6-9-24(10-7-14)17(26)13-8-11-27-12-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H,20,23)
InChIKeyWAKBKFOCRLIQJP-UHFFFAOYSA-N
XLogP2.73
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 167769071
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-cyclopropyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 29131460
[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 133436512
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 31660307
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97246065
furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 87053011
3-tert-butyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489399
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 30711914

Frequently Asked Questions

What is the IUPAC name of [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone (CID 133489193) is [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone is CC(C)(C)c1nnc2ccc(NC3CCN(C(=O)c4ccoc4)CC3)nn12.
What is the InChIKey of [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is WAKBKFOCRLIQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-19(2,3)18-22-21-16-5-4-15(23-25(16)18)20-14-6-9-24(10-7-14)17(26)13-8-11-27-12-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H,20,23).
What are the key properties of [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 133489193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).