(2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C21H19FN4O2 — CID 121419849

IUPAC(2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC=Cc1cc(F)ccc1C(=O)N1CCn2c(nnc2-c2ccccc2OC)C1
InChIInChI=1S/C21H19FN4O2/c1-3-14-12-15(22)8-9-16(14)21(27)25-10-11-26-19(13-25)23-24-20(26)17-6-4-5-7-18(17)28-2/h3-9,12H,1,10-11,13H2,2H3
InChIKeyKOVQUGBSMXZRPO-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.39
Rot. Bonds4

About (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 121419849) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID121419849
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name(2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC=Cc1cc(F)ccc1C(=O)N1CCn2c(nnc2-c2ccccc2OC)C1
InChIInChI=1S/C21H19FN4O2/c1-3-14-12-15(22)8-9-16(14)21(27)25-10-11-26-19(13-25)23-24-20(26)17-6-4-5-7-18(17)28-2/h3-9,12H,1,10-11,13H2,2H3
InChIKeyKOVQUGBSMXZRPO-UHFFFAOYSA-N
XLogP3.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 121419849) is (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C=Cc1cc(F)ccc1C(=O)N1CCn2c(nnc2-c2ccccc2OC)C1.
What is the InChIKey of (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is KOVQUGBSMXZRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-3-14-12-15(22)8-9-16(14)21(27)25-10-11-26-19(13-25)23-24-20(26)17-6-4-5-7-18(17)28-2/h3-9,12H,1,10-11,13H2,2H3.
What are the key properties of (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 378.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 121419849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).