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

C14H16N4O — CID 53193616

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCn3cnnc3C2)c1
InChIInChI=1S/C14H16N4O/c1-11-3-2-4-12(7-11)8-14(19)17-5-6-18-10-15-16-13(18)9-17/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyMOUKOYMGZIUYAC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.17
Rot. Bonds2

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone (PubChem CID 53193616) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone
PubChem CID53193616
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCn3cnnc3C2)c1
InChIInChI=1S/C14H16N4O/c1-11-3-2-4-12(7-11)8-14(19)17-5-6-18-10-15-16-13(18)9-17/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyMOUKOYMGZIUYAC-UHFFFAOYSA-N
XLogP1.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.17
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-(3-methylphenyl)ethanone?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone (CID 53193616) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCn3cnnc3C2)c1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is MOUKOYMGZIUYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11-3-2-4-12(7-11)8-14(19)17-5-6-18-10-15-16-13(18)9-17/h2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 256.31 g/mol, XLogP of 1.17, 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-(3-methylphenyl)ethanone is sourced from PubChem (CID 53193616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).