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

C18H17ClN4O — CID 134790830

IUPAC7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(Cl)cc2)nc2n1CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H17ClN4O/c19-15-6-8-16(9-7-15)23-18(24)22-11-10-21(13-17(22)20-23)12-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyVYHSIXQAMCOMDF-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.70
Rot. Bonds3

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

7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134790830) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134790830
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(-c2ccc(Cl)cc2)nc2n1CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H17ClN4O/c19-15-6-8-16(9-7-15)23-18(24)22-11-10-21(13-17(22)20-23)12-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyVYHSIXQAMCOMDF-UHFFFAOYSA-N
XLogP2.70
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134790830) is 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(-c2ccc(Cl)cc2)nc2n1CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is VYHSIXQAMCOMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-15-6-8-16(9-7-15)23-18(24)22-11-10-21(13-17(22)20-23)12-14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 340.81 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134790830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).