3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C13H15FN4O — CID 81284224

IUPAC3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cc(-c2nnc3n2CCNC3C)ccc1F
InChIInChI=1S/C13H15FN4O/c1-8-12-16-17-13(18(12)6-5-15-8)9-3-4-10(14)11(7-9)19-2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyHPRQJFJASKOTGG-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.76
Rot. Bonds2

About 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81284224) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81284224
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cc(-c2nnc3n2CCNC3C)ccc1F
InChIInChI=1S/C13H15FN4O/c1-8-12-16-17-13(18(12)6-5-15-8)9-3-4-10(14)11(7-9)19-2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyHPRQJFJASKOTGG-UHFFFAOYSA-N
XLogP1.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 81284224) is 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COc1cc(-c2nnc3n2CCNC3C)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HPRQJFJASKOTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-12-16-17-13(18(12)6-5-15-8)9-3-4-10(14)11(7-9)19-2/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 262.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81284224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).