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

C19H18N4O — CID 138980398

IUPAC(8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESO=C1Cn2c(Cc3ccccc3)nnc2[C@H](Cc2ccccc2)N1
InChIInChI=1S/C19H18N4O/c24-18-13-23-17(12-15-9-5-2-6-10-15)21-22-19(23)16(20-18)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,24)/t16-/m0/s1
InChIKeyFVOHTKLFHBEMLH-INIZCTEOSA-N
MW318.38 g/mol
LogP2.28
Rot. Bonds4

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

(8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 138980398) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID138980398
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESO=C1Cn2c(Cc3ccccc3)nnc2[C@H](Cc2ccccc2)N1
InChIInChI=1S/C19H18N4O/c24-18-13-23-17(12-15-9-5-2-6-10-15)21-22-19(23)16(20-18)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,24)/t16-/m0/s1
InChIKeyFVOHTKLFHBEMLH-INIZCTEOSA-N
XLogP2.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 138980398) is (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one is O=C1Cn2c(Cc3ccccc3)nnc2[C@H](Cc2ccccc2)N1.
What is the InChIKey of (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is FVOHTKLFHBEMLH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O/c24-18-13-23-17(12-15-9-5-2-6-10-15)21-22-19(23)16(20-18)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,24)/t16-/m0/s1.
What are the key properties of (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 318.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3,8-dibenzyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 138980398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).