7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C15H18N4O2 — CID 75528580

IUPAC7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCN1CCn2c(nn(Cc3cccc(C)c3)c2=O)C1=O
InChIInChI=1S/C15H18N4O2/c1-3-17-7-8-18-13(14(17)20)16-19(15(18)21)10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3
InChIKeyXLWUHNDEQBXXIQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.88
Rot. Bonds3

About 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 75528580) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID75528580
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCN1CCn2c(nn(Cc3cccc(C)c3)c2=O)C1=O
InChIInChI=1S/C15H18N4O2/c1-3-17-7-8-18-13(14(17)20)16-19(15(18)21)10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3
InChIKeyXLWUHNDEQBXXIQ-UHFFFAOYSA-N
XLogP0.88
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethyl-2-[(3-fluorophenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 75528571
N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 75528680
2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methylphenyl)acetamide
CID 75528754
N-[(3,4-dimethoxyphenyl)methyl]-2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 75528590
N-[(2,3-dimethoxyphenyl)methyl]-2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 75528606
N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 75528744
7-ethyl-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157017965
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 91908443
(6R)-6-amino-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one
CID 10658150
3-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzonitrile
CID 24699758
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528
2-[7-[(2,5-dimethylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 166604036

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 75528580) is 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is CCN1CCn2c(nn(Cc3cccc(C)c3)c2=O)C1=O.
What is the InChIKey of 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is XLWUHNDEQBXXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-17-7-8-18-13(14(17)20)16-19(15(18)21)10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3.
What are the key properties of 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 286.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 75528580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).