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

C14H18N6O2 — CID 90402528

IUPACtert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(nnc2-c2cnccn2)C1
InChIInChI=1S/C14H18N6O2/c1-14(2,3)22-13(21)19-6-7-20-11(9-19)17-18-12(20)10-8-15-4-5-16-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyPGYLGWPLXKTJKD-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.49
Rot. Bonds1

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

tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 90402528) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
PubChem CID90402528
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Nametert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(nnc2-c2cnccn2)C1
InChIInChI=1S/C14H18N6O2/c1-14(2,3)22-13(21)19-6-7-20-11(9-19)17-18-12(20)10-8-15-4-5-16-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyPGYLGWPLXKTJKD-UHFFFAOYSA-N
XLogP1.49
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 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

3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 90402524
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 90402528) is tert-butyl 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 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2c(nnc2-c2cnccn2)C1.
What is the InChIKey of tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The InChIKey is PGYLGWPLXKTJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-14(2,3)22-13(21)19-6-7-20-11(9-19)17-18-12(20)10-8-15-4-5-16-10/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 302.34 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 90402528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).