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

C15H18N6O3 — CID 90402282

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

tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 90402282) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• PubChem CID: 90402282
• Molecular Formula: C15H18N6O3
• Molecular Weight: 330.35 g/mol
• Exact Mass: 330.14
• IUPAC Name: tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• SMILES: CC1Cn2c(nnc2-c2cnccn2)C(=O)N1C(=O)OC(C)(C)C
• InChI: InChI=1S/C15H18N6O3/c1-9-8-20-11(10-7-16-5-6-17-10)18-19-12(20)13(22)21(9)14(23)24-15(2,3)4/h5-7,9H,8H2,1-4H3
• InChIKey: QDSLRUVXWNCMQR-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 103.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.35
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The IUPAC name of 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) is tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

What is the SMILES notation for tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The canonical SMILES for tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is CC1Cn2c(nnc2-c2cnccn2)C(=O)N1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The InChIKey is QDSLRUVXWNCMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-9-8-20-11(10-7-16-5-6-17-10)18-19-12(20)13(22)21(9)14(23)24-15(2,3)4/h5-7,9H,8H2,1-4H3.

What are the key properties of tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 330.35 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-methyl-8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 90402282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).