4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine

C18H17F2N5O — CID 133294288

IUPAC4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine
SMILESFc1ccc(C2CN(c3ccc4nnc(C5CC5)n4n3)CCO2)cc1F
InChIInChI=1S/C18H17F2N5O/c19-13-4-3-12(9-14(13)20)15-10-24(7-8-26-15)17-6-5-16-21-22-18(11-1-2-11)25(16)23-17/h3-6,9,11,15H,1-2,7-8,10H2
InChIKeyNIKZHUHRVZBXDK-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.86
Rot. Bonds3

About 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine

4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine (PubChem CID 133294288) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine
PubChem CID133294288
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine
SMILESFc1ccc(C2CN(c3ccc4nnc(C5CC5)n4n3)CCO2)cc1F
InChIInChI=1S/C18H17F2N5O/c19-13-4-3-12(9-14(13)20)15-10-24(7-8-26-15)17-6-5-16-21-22-18(11-1-2-11)25(16)23-17/h3-6,9,11,15H,1-2,7-8,10H2
InChIKeyNIKZHUHRVZBXDK-UHFFFAOYSA-N
XLogP2.86
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine?
The IUPAC name of 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine (CID 133294288) is 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine.
What is the SMILES notation for 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine?
The canonical SMILES for 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine is Fc1ccc(C2CN(c3ccc4nnc(C5CC5)n4n3)CCO2)cc1F.
What is the InChIKey of 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine?
The InChIKey is NIKZHUHRVZBXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-13-4-3-12(9-14(13)20)15-10-24(7-8-26-15)17-6-5-16-21-22-18(11-1-2-11)25(16)23-17/h3-6,9,11,15H,1-2,7-8,10H2.
What are the key properties of 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine?
4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine has a molecular weight of 357.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine is sourced from PubChem (CID 133294288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).