3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C19H13ClFN5 — CID 24831897

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(-c2cnc3nnc(C4(c5ccc(Cl)cc5)CC4)n3n2)cc1
InChIInChI=1S/C19H13ClFN5/c20-14-5-3-13(4-6-14)19(9-10-19)17-23-24-18-22-11-16(25-26(17)18)12-1-7-15(21)8-2-12/h1-8,11H,9-10H2
InChIKeyXYYXMBWHXBHXPK-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.06
Rot. Bonds3

About 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 24831897) has the molecular formula C19H13ClFN5 and a molecular weight of 365.80 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID24831897
Molecular FormulaC19H13ClFN5
Molecular Weight365.80 g/mol
Exact Mass365.08
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(-c2cnc3nnc(C4(c5ccc(Cl)cc5)CC4)n3n2)cc1
InChIInChI=1S/C19H13ClFN5/c20-14-5-3-13(4-6-14)19(9-10-19)17-23-24-18-22-11-16(25-26(17)18)12-1-7-15(21)8-2-12/h1-8,11H,9-10H2
InChIKeyXYYXMBWHXBHXPK-UHFFFAOYSA-N
XLogP4.06
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine with MolForge

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Related Compounds

6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830775
3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24831898
6-(2,4-difluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24831094
1-[4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]ethenol
CID 89294199
7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830930
6-[1-[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline
CID 59216341
ethyl 1-[[4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl]amino]cyclopropane-1-carboxylate
CID 24829968
4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide
CID 24830137
ethyl 4-[[4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl]amino]piperidine-1-carboxylate
CID 24829966
3-(3,5-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazole
CID 59216250
(2R)-N,N-dimethyl-2-[4-[4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyrazol-1-yl]propanamide
CID 59216282
N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide
CID 24830298

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 24831897) is 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Fc1ccc(-c2cnc3nnc(C4(c5ccc(Cl)cc5)CC4)n3n2)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is XYYXMBWHXBHXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5/c20-14-5-3-13(4-6-14)19(9-10-19)17-23-24-18-22-11-16(25-26(17)18)12-1-7-15(21)8-2-12/h1-8,11H,9-10H2.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 365.80 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 24831897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).