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

C19H19N5O — CID 163318787

IUPAC(5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(CCc2ccccc2)Cc2nnc(-c3ccncc3)n21
InChIInChI=1S/C19H19N5O/c1-14-19(25)23(12-9-15-5-3-2-4-6-15)13-17-21-22-18(24(14)17)16-7-10-20-11-8-16/h2-8,10-11,14H,9,12-13H2,1H3/t14-/m0/s1
InChIKeyWCHLKDYMMMHYQM-AWEZNQCLSA-N
MW333.39 g/mol
LogP2.49
Rot. Bonds4

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

(5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163318787) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163318787
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name(5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(CCc2ccccc2)Cc2nnc(-c3ccncc3)n21
InChIInChI=1S/C19H19N5O/c1-14-19(25)23(12-9-15-5-3-2-4-6-15)13-17-21-22-18(24(14)17)16-7-10-20-11-8-16/h2-8,10-11,14H,9,12-13H2,1H3/t14-/m0/s1
InChIKeyWCHLKDYMMMHYQM-AWEZNQCLSA-N
XLogP2.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163318787) is (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is C[C@H]1C(=O)N(CCc2ccccc2)Cc2nnc(-c3ccncc3)n21.
What is the InChIKey of (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is WCHLKDYMMMHYQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-19(25)23(12-9-15-5-3-2-4-6-15)13-17-21-22-18(24(14)17)16-7-10-20-11-8-16/h2-8,10-11,14H,9,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 333.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163318787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).