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

C18H17N5O — CID 163310785

IUPAC(5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3ccccn3)n21
InChIInChI=1S/C18H17N5O/c1-13-18(24)22(11-14-7-3-2-4-8-14)12-16-20-21-17(23(13)16)15-9-5-6-10-19-15/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyHGXOCAMCTOVFSU-ZDUSSCGKSA-N
MW319.37 g/mol
LogP2.44
Rot. Bonds3

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

(5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163310785) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163310785
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3ccccn3)n21
InChIInChI=1S/C18H17N5O/c1-13-18(24)22(11-14-7-3-2-4-8-14)12-16-20-21-17(23(13)16)15-9-5-6-10-19-15/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyHGXOCAMCTOVFSU-ZDUSSCGKSA-N
XLogP2.44
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163310785) is (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3ccccn3)n21.
What is the InChIKey of (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is HGXOCAMCTOVFSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-18(24)22(11-14-7-3-2-4-8-14)12-16-20-21-17(23(13)16)15-9-5-6-10-19-15/h2-10,13H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 319.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163310785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).