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

C17H17N5O2 — CID 163307619

IUPAC(5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCc1cc(-c2nnc3n2[C@H](C)C(=O)N(Cc2ccccc2)C3)on1
InChIInChI=1S/C17H17N5O2/c1-11-8-14(24-20-11)16-19-18-15-10-21(17(23)12(2)22(15)16)9-13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyRUBUFJATOJBOGD-GFCCVEGCSA-N
MW323.36 g/mol
LogP2.34
Rot. Bonds3

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

(5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163307619) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163307619
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCc1cc(-c2nnc3n2[C@H](C)C(=O)N(Cc2ccccc2)C3)on1
InChIInChI=1S/C17H17N5O2/c1-11-8-14(24-20-11)16-19-18-15-10-21(17(23)12(2)22(15)16)9-13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyRUBUFJATOJBOGD-GFCCVEGCSA-N
XLogP2.34
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163307619) is (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is Cc1cc(-c2nnc3n2[C@H](C)C(=O)N(Cc2ccccc2)C3)on1.
What is the InChIKey of (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is RUBUFJATOJBOGD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-8-14(24-20-11)16-19-18-15-10-21(17(23)12(2)22(15)16)9-13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 323.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-benzyl-5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163307619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).