tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

C15H20N6O2 — CID 90402323

IUPACtert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H20N6O2/c1-10-8-21-12(9-20(10)14(22)23-15(2,3)4)18-19-13(21)11-7-16-5-6-17-11/h5-7,10H,8-9H2,1-4H3/t10-/m0/s1
InChIKeyYHYLQLFSAMJCFY-JTQLQIEISA-N
MW316.37 g/mol
LogP1.87
Rot. Bonds1

About tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 90402323) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
PubChem CID90402323
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Nametert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESC[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H20N6O2/c1-10-8-21-12(9-20(10)14(22)23-15(2,3)4)18-19-13(21)11-7-16-5-6-17-11/h5-7,10H,8-9H2,1-4H3/t10-/m0/s1
InChIKeyYHYLQLFSAMJCFY-JTQLQIEISA-N
XLogP1.87
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

(6,6-dimethyl-3-(2-pyrazinyl)-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-8(5H)-yl)methanol
CID 1282511
8-Acetyl-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidin-6-yl acetate
CID 12143093
8-Acetyl-6,6-dimethyl-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 1282509
tert-Butyl-4-[5-(2H-tetrazol-5-yl)pyrazin-2-yl]piperazine-1-carboxylate
CID 58539805
Tert-butyl 4-[5-[2-(2-oxopropyl)tetrazol-5-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 58539842
tert-butyl 4-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 67055562
(S)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 86279012
Tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate
CID 90079174
Tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90402282
(S)-tert-butyl 6-methyl-8-oxo-3-(pyrazin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 90402284
tert-butyl 6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90402321
6-methyl-3-pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 90402359

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 90402323) is tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is C[C@H]1Cn2c(nnc2-c2cnccn2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The InChIKey is YHYLQLFSAMJCFY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-8-21-12(9-20(10)14(22)23-15(2,3)4)18-19-13(21)11-7-16-5-6-17-11/h5-7,10H,8-9H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 316.37 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 90402323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).