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

C19H12Cl2FN5 — CID 24831898

IUPAC3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(-c2cnc3nnc(C4(c5ccc(Cl)cc5Cl)CC4)n3n2)cc1
InChIInChI=1S/C19H12Cl2FN5/c20-12-3-6-14(15(21)9-12)19(7-8-19)17-24-25-18-23-10-16(26-27(17)18)11-1-4-13(22)5-2-11/h1-6,9-10H,7-8H2
InChIKeyJJLHGGSYXFMMLR-UHFFFAOYSA-N
MW400.24 g/mol
LogP4.71
Rot. Bonds3

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

3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 24831898) has the molecular formula C19H12Cl2FN5 and a molecular weight of 400.24 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID24831898
Molecular FormulaC19H12Cl2FN5
Molecular Weight400.24 g/mol
Exact Mass399.05
IUPAC Name3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(-c2cnc3nnc(C4(c5ccc(Cl)cc5Cl)CC4)n3n2)cc1
InChIInChI=1S/C19H12Cl2FN5/c20-12-3-6-14(15(21)9-12)19(7-8-19)17-24-25-18-23-10-16(26-27(17)18)11-1-4-13(22)5-2-11/h1-6,9-10H,7-8H2
InChIKeyJJLHGGSYXFMMLR-UHFFFAOYSA-N
XLogP4.71
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-chlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24831897
6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830775
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
2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 42634986
7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830930
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
(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
3,5-bis(4-fluorophenyl)pyridazine
CID 11277172
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 24831898) is 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Fc1ccc(-c2cnc3nnc(C4(c5ccc(Cl)cc5Cl)CC4)n3n2)cc1.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is JJLHGGSYXFMMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN5/c20-12-3-6-14(15(21)9-12)19(7-8-19)17-24-25-18-23-10-16(26-27(17)18)11-1-4-13(22)5-2-11/h1-6,9-10H,7-8H2.
What are the key properties of 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 400.24 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)cyclopropyl]-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 24831898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).