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

C13H13FN4O2 — CID 53193585

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3cnnc3C2)cc1F
InChIInChI=1S/C13H13FN4O2/c1-20-11-3-2-9(6-10(11)14)13(19)17-4-5-18-8-15-16-12(18)7-17/h2-3,6,8H,4-5,7H2,1H3
InChIKeyYWCATDBHOHBZPD-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.08
Rot. Bonds2

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 53193585) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID53193585
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3cnnc3C2)cc1F
InChIInChI=1S/C13H13FN4O2/c1-20-11-3-2-9(6-10(11)14)13(19)17-4-5-18-8-15-16-12(18)7-17/h2-3,6,8H,4-5,7H2,1H3
InChIKeyYWCATDBHOHBZPD-UHFFFAOYSA-N
XLogP1.08
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone (CID 53193585) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCn3cnnc3C2)cc1F.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is YWCATDBHOHBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-20-11-3-2-9(6-10(11)14)13(19)17-4-5-18-8-15-16-12(18)7-17/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 276.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 53193585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).