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

C13H13FN4O — CID 95833515

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCn2cnnc2C1
InChIInChI=1S/C13H13FN4O/c14-11-3-1-10(2-4-11)7-13(19)17-5-6-18-9-15-16-12(18)8-17/h1-4,9H,5-8H2
InChIKeyCLZQXTJHVCEGCB-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.00
Rot. Bonds2

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 95833515) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone
PubChem CID95833515
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCn2cnnc2C1
InChIInChI=1S/C13H13FN4O/c14-11-3-1-10(2-4-11)7-13(19)17-5-6-18-9-15-16-12(18)8-17/h1-4,9H,5-8H2
InChIKeyCLZQXTJHVCEGCB-UHFFFAOYSA-N
XLogP1.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone (CID 95833515) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCn2cnnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is CLZQXTJHVCEGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c14-11-3-1-10(2-4-11)7-13(19)17-5-6-18-9-15-16-12(18)8-17/h1-4,9H,5-8H2.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 260.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 95833515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).