ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate

C10H11ClN4O2 — CID 81429584

IUPACethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2c(Cl)nc(C)c(C)n12
InChIInChI=1S/C10H11ClN4O2/c1-4-17-10(16)9-14-13-8-7(11)12-5(2)6(3)15(8)9/h4H2,1-3H3
InChIKeyAAJYOEUJBNVYGB-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.57
Rot. Bonds2

About ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate

ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (PubChem CID 81429584) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
PubChem CID81429584
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Nameethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2c(Cl)nc(C)c(C)n12
InChIInChI=1S/C10H11ClN4O2/c1-4-17-10(16)9-14-13-8-7(11)12-5(2)6(3)15(8)9/h4H2,1-3H3
InChIKeyAAJYOEUJBNVYGB-UHFFFAOYSA-N
XLogP1.57
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 5-chloro-2H-triazole-4-carboxylate
CID 6405202
diethyl 2-chloro-1,3-thiazole-4,5-dicarboxylate
CID 15009545
ethyl 4-amino-5-fluoro-1-methylimidazole-2-carboxylate
CID 71743159
ethyl 4-[(4-ethylphenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 106900020
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11046411
ethyl 6-chloro-5-isocyano-2-methylpyridine-3-carboxylate
CID 140911575
ethyl 4-(3,5-dimethylcyclohexyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 83232841

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (CID 81429584) is ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is CCOC(=O)c1nnc2c(Cl)nc(C)c(C)n12.
What is the InChIKey of ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The InChIKey is AAJYOEUJBNVYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-4-17-10(16)9-14-13-8-7(11)12-5(2)6(3)15(8)9/h4H2,1-3H3.
What are the key properties of ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate has a molecular weight of 254.68 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is sourced from PubChem (CID 81429584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).