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

C16H20N4O3 — CID 164690969

IUPAC(5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCOCCN1Cc2nnc(-c3cccc(OC)c3)n2[C@@H](C)C1=O
InChIInChI=1S/C16H20N4O3/c1-11-16(21)19(7-8-22-2)10-14-17-18-15(20(11)14)12-5-4-6-13(9-12)23-3/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyIMGJMJNEWZLZLQ-NSHDSACASA-N
MW316.36 g/mol
LogP1.50
Rot. Bonds5

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

(5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 164690969) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID164690969
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCOCCN1Cc2nnc(-c3cccc(OC)c3)n2[C@@H](C)C1=O
InChIInChI=1S/C16H20N4O3/c1-11-16(21)19(7-8-22-2)10-14-17-18-15(20(11)14)12-5-4-6-13(9-12)23-3/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyIMGJMJNEWZLZLQ-NSHDSACASA-N
XLogP1.50
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163318084
(5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163312374
(1R,7S)-5-(3-methoxyphenyl)-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-2,4-dien-8-one
CID 163311098
(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
(5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1-methylpyrazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163313266
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 3228103
(5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163310547
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
7-cyclopropyl-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163315390
(5R)-5-benzyl-3-cyclobutyl-7-(2-methoxyethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308249
1-(2-methoxyethyl)-3-(3-methoxyphenyl)imidazolidine-2,4-dione
CID 79280992
(5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163313636

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 164690969) is (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is COCCN1Cc2nnc(-c3cccc(OC)c3)n2[C@@H](C)C1=O.
What is the InChIKey of (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is IMGJMJNEWZLZLQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-16(21)19(7-8-22-2)10-14-17-18-15(20(11)14)12-5-4-6-13(9-12)23-3/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 316.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-methoxyethyl)-3-(3-methoxyphenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 164690969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).