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

C13H13ClN4O — CID 64575368

IUPAC1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESO=C(CN1CCn2cnnc2C1)c1ccccc1Cl
InChIInChI=1S/C13H13ClN4O/c14-11-4-2-1-3-10(11)12(19)7-17-5-6-18-9-15-16-13(18)8-17/h1-4,9H,5-8H2
InChIKeySBTTURUTFAJWQC-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.63
Rot. Bonds3

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

1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 64575368) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID64575368
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESO=C(CN1CCn2cnnc2C1)c1ccccc1Cl
InChIInChI=1S/C13H13ClN4O/c14-11-4-2-1-3-10(11)12(19)7-17-5-6-18-9-15-16-13(18)8-17/h1-4,9H,5-8H2
InChIKeySBTTURUTFAJWQC-UHFFFAOYSA-N
XLogP1.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 64575368) is 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is O=C(CN1CCn2cnnc2C1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is SBTTURUTFAJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-4-2-1-3-10(11)12(19)7-17-5-6-18-9-15-16-13(18)8-17/h1-4,9H,5-8H2.
What are the key properties of 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 276.73 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 64575368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).