4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C19H24N6O2 — CID 126910916

IUPAC4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)CC1=O
InChIInChI=1S/C19H24N6O2/c1-23-11-14(10-17(23)26)19(27)24-8-6-13(7-9-24)18-21-20-16-5-4-15(12-2-3-12)22-25(16)18/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyDVECECQDEPMYMY-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.19
Rot. Bonds3

About 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 126910916) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID126910916
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)CC1=O
InChIInChI=1S/C19H24N6O2/c1-23-11-14(10-17(23)26)19(27)24-8-6-13(7-9-24)18-21-20-16-5-4-15(12-2-3-12)22-25(16)18/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyDVECECQDEPMYMY-UHFFFAOYSA-N
XLogP1.19
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126911442
5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126910918
(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92615288
cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126911479
5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 126910489
[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 126912586
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910926
5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126911027
6-cyclopropyl-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911116
(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92566407
6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126910997

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 126910916) is 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1CC(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)CC1=O.
What is the InChIKey of 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is DVECECQDEPMYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-23-11-14(10-17(23)26)19(27)24-8-6-13(7-9-24)18-21-20-16-5-4-15(12-2-3-12)22-25(16)18/h4-5,12-14H,2-3,6-11H2,1H3.
What are the key properties of 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 126910916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).