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

C17H16N6O — CID 86279014

IUPAC(6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N6O/c1-12-10-23-15(14-9-18-7-8-19-14)20-21-16(23)17(24)22(12)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyUUKORMZTLKMSRI-LBPRGKRZSA-N
MW320.36 g/mol
LogP1.78
Rot. Bonds3

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

(6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 86279014) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name(6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID86279014
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name(6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N6O/c1-12-10-23-15(14-9-18-7-8-19-14)20-21-16(23)17(24)22(12)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyUUKORMZTLKMSRI-LBPRGKRZSA-N
XLogP1.78
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 86279014) is (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is UUKORMZTLKMSRI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N6O/c1-12-10-23-15(14-9-18-7-8-19-14)20-21-16(23)17(24)22(12)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
(6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 320.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 86279014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).