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

C20H16FN5O — CID 24830775

IUPAC6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(C2(c3nnc4ncc(-c5ccc(F)cc5)nn34)CC2)cc1
InChIInChI=1S/C20H16FN5O/c1-27-16-8-4-14(5-9-16)20(10-11-20)18-23-24-19-22-12-17(25-26(18)19)13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3
InChIKeyRZCPUAJZBOUEDU-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.41
Rot. Bonds4

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

6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 24830775) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID24830775
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(C2(c3nnc4ncc(-c5ccc(F)cc5)nn34)CC2)cc1
InChIInChI=1S/C20H16FN5O/c1-27-16-8-4-14(5-9-16)20(10-11-20)18-23-24-19-22-12-17(25-26(18)19)13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3
InChIKeyRZCPUAJZBOUEDU-UHFFFAOYSA-N
XLogP3.41
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 24830775) is 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COc1ccc(C2(c3nnc4ncc(-c5ccc(F)cc5)nn34)CC2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is RZCPUAJZBOUEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-27-16-8-4-14(5-9-16)20(10-11-20)18-23-24-19-22-12-17(25-26(18)19)13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 361.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 24830775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).