1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one

C18H16Cl2N6O — CID 133357435

IUPAC1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CN1C1CC1
InChIInChI=1S/C18H16Cl2N6O/c19-11-5-10(6-12(20)7-11)18-23-22-16-4-3-15(24-26(16)18)21-13-8-17(27)25(9-13)14-1-2-14/h3-7,13-14H,1-2,8-9H2,(H,21,24)
InChIKeyLNHXOHWFMXLXPD-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.27
Rot. Bonds4

About 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one

1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one (PubChem CID 133357435) has the molecular formula C18H16Cl2N6O and a molecular weight of 403.27 g/mol. Its IUPAC name is 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one
PubChem CID133357435
Molecular FormulaC18H16Cl2N6O
Molecular Weight403.27 g/mol
Exact Mass402.08
IUPAC Name1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CN1C1CC1
InChIInChI=1S/C18H16Cl2N6O/c19-11-5-10(6-12(20)7-11)18-23-22-16-4-3-15(24-26(16)18)21-13-8-17(27)25(9-13)14-1-2-14/h3-7,13-14H,1-2,8-9H2,(H,21,24)
InChIKeyLNHXOHWFMXLXPD-UHFFFAOYSA-N
XLogP3.27
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one
CID 133286083
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 133357473
3-(3,5-dichlorophenyl)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133305149
1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133357482
4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 133357462
tert-butyl N-[1-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate
CID 133293196
3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97255572
4-chloro-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 133357287
2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide
CID 133367595
(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 97321254
3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133312174
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133281716

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one (CID 133357435) is 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one is O=C1CC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one?
The InChIKey is LNHXOHWFMXLXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O/c19-11-5-10(6-12(20)7-11)18-23-22-16-4-3-15(24-26(16)18)21-13-8-17(27)25(9-13)14-1-2-14/h3-7,13-14H,1-2,8-9H2,(H,21,24).
What are the key properties of 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one?
1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one has a molecular weight of 403.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133357435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).