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

C17H15ClN6O — CID 86279015

IUPAC(6S)-7-[(2-chlorophenyl)methyl]-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)N1Cc1ccccc1Cl
InChIInChI=1S/C17H15ClN6O/c1-11-9-24-15(14-8-19-6-7-20-14)21-22-16(24)17(25)23(11)10-12-4-2-3-5-13(12)18/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKeyVSVZYHLVZWMRMJ-NSHDSACASA-N
MW354.80 g/mol
LogP2.43
Rot. Bonds3

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

(6S)-7-[(2-chlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 86279015) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is (6S)-7-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID86279015
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC Name(6S)-7-[(2-chlorophenyl)methyl]-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)N1Cc1ccccc1Cl
InChIInChI=1S/C17H15ClN6O/c1-11-9-24-15(14-8-19-6-7-20-14)21-22-16(24)17(25)23(11)10-12-4-2-3-5-13(12)18/h2-8,11H,9-10H2,1H3/t11-/m0/s1
InChIKeyVSVZYHLVZWMRMJ-NSHDSACASA-N
XLogP2.43
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 86279015) is (6S)-7-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-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)N1Cc1ccccc1Cl.
What is the InChIKey of (6S)-7-[(2-chlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is VSVZYHLVZWMRMJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-11-9-24-15(14-8-19-6-7-20-14)21-22-16(24)17(25)23(11)10-12-4-2-3-5-13(12)18/h2-8,11H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (6S)-7-[(2-chlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
(6S)-7-[(2-chlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 354.80 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-[(2-chlorophenyl)methyl]-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 86279015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).