ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate

C9H14N4O2 — CID 140912438

IUPACethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1C(C)CNC2
InChIInChI=1S/C9H14N4O2/c1-3-15-9(14)8-12-11-7-5-10-4-6(2)13(7)8/h6,10H,3-5H2,1-2H3
InChIKeyJUKJCDMEHSNEME-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.12
Rot. Bonds2

About ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate

ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (PubChem CID 140912438) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
PubChem CID140912438
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nameethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1C(C)CNC2
InChIInChI=1S/C9H14N4O2/c1-3-15-9(14)8-12-11-7-5-10-4-6(2)13(7)8/h6,10H,3-5H2,1-2H3
InChIKeyJUKJCDMEHSNEME-UHFFFAOYSA-N
XLogP0.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

lithium(1+)5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CID 165658090
tert-butyl 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 91662808
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
tert-butyl 5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-6-carboxylate
CID 122163301
ethyl 3-[(1S)-1-aminopropyl]-1-methyl-1H-1,2,4-triazole-5-carboxylate hydrochloride
CID 155978187
tert-butyl (6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 99965089
1-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl 2,2,2-trifluoroacetate
CID 153525659
methyl5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylatedihydrochloride
CID 165479144
ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64575745
methyl 2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64577865
ethyl 2-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64578253
methyl 2-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64578647

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (CID 140912438) is ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is CCOC(=O)c1nnc2n1C(C)CNC2.
What is the InChIKey of ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The InChIKey is JUKJCDMEHSNEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-15-9(14)8-12-11-7-5-10-4-6(2)13(7)8/h6,10H,3-5H2,1-2H3.
What are the key properties of ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate has a molecular weight of 210.24 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is sourced from PubChem (CID 140912438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).