7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C14H13ClN4O2 — CID 163358339

IUPAC7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCn1nc2c(=O)n(-c3ccc(C)c(Cl)c3)ccn2c1=O
InChIInChI=1S/C14H13ClN4O2/c1-3-19-14(21)18-7-6-17(13(20)12(18)16-19)10-5-4-9(2)11(15)8-10/h4-8H,3H2,1-2H3
InChIKeyZQEMHWVAVVXMJN-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.63
Rot. Bonds2

About 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 163358339) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID163358339
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCn1nc2c(=O)n(-c3ccc(C)c(Cl)c3)ccn2c1=O
InChIInChI=1S/C14H13ClN4O2/c1-3-19-14(21)18-7-6-17(13(20)12(18)16-19)10-5-4-9(2)11(15)8-10/h4-8H,3H2,1-2H3
InChIKeyZQEMHWVAVVXMJN-UHFFFAOYSA-N
XLogP1.63
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-(3-Chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 10667836
2-[3-[4-(3-Chlorophenyl)-2-methyl-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 10668661
2-[6-(tert-butylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 44117406
N-(3-chloro-4-methylphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetamide
CID 25674437
7-(3-chloro-2-methylphenyl)-3-thioxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
CID 66828157
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-(1-(methylsulfonyl)piperidin-4-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 30864484
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-(1-(methylsulfonyl)piperidin-3-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 44071094
3-[4-(3-Chloro-4-methylphenyl)-3-oxo-3,4-dihydropyrazin-2-YL]-1-(3-methylphenyl)urea
CID 53118225
N-(3-Chloro-4-methylphenyl)-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-2-YL}acetamide
CID 91906301
N-[4-[[2-(3-chlorophenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]acetamide
CID 134787316
2-(3-chlorophenyl)-7-[[4-(dimethylamino)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134788852
N-(3-chlorophenyl)-2-(3-oxo-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
CID 49662992

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 163358339) is 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is CCn1nc2c(=O)n(-c3ccc(C)c(Cl)c3)ccn2c1=O.
What is the InChIKey of 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is ZQEMHWVAVVXMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-3-19-14(21)18-7-6-17(13(20)12(18)16-19)10-5-4-9(2)11(15)8-10/h4-8H,3H2,1-2H3.
What are the key properties of 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 304.74 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 163358339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).