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

C13H14N4O — CID 138980625

IUPAC(8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESC[C@H]1NC(=O)Cn2c(Cc3ccccc3)nnc21
InChIInChI=1S/C13H14N4O/c1-9-13-16-15-11(17(13)8-12(18)14-9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,18)/t9-/m1/s1
InChIKeyGKTHGMNMUSNWNW-SECBINFHSA-N
MW242.28 g/mol
LogP1.06
Rot. Bonds2

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

(8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 138980625) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID138980625
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESC[C@H]1NC(=O)Cn2c(Cc3ccccc3)nnc21
InChIInChI=1S/C13H14N4O/c1-9-13-16-15-11(17(13)8-12(18)14-9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,18)/t9-/m1/s1
InChIKeyGKTHGMNMUSNWNW-SECBINFHSA-N
XLogP1.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 138980625) is (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one is C[C@H]1NC(=O)Cn2c(Cc3ccccc3)nnc21.
What is the InChIKey of (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is GKTHGMNMUSNWNW-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-13-16-15-11(17(13)8-12(18)14-9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,18)/t9-/m1/s1.
What are the key properties of (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 242.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-benzyl-8-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 138980625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).