methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate

C12H15N3O2 — CID 169233110

IUPACmethyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnc2cc(C(C)(C)C)[nH]c2n1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)9-5-7-10(15-9)14-8(6-13-7)11(16)17-4/h5-6H,1-4H3,(H,14,15)
InChIKeyCFIYCNKLJRIMBS-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.04
Rot. Bonds1

About methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate

methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate (PubChem CID 169233110) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate
PubChem CID169233110
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnc2cc(C(C)(C)C)[nH]c2n1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)9-5-7-10(15-9)14-8(6-13-7)11(16)17-4/h5-6H,1-4H3,(H,14,15)
InChIKeyCFIYCNKLJRIMBS-UHFFFAOYSA-N
XLogP2.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 53412446
methyl 2-tert-butylpyrimidine-5-carboxylate
CID 11446870
methyl 7-bromo-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 138111834
methyl furo[2,3-b]pyrazine-2-carboxylate
CID 118656900
methyl 2-(azetidin-1-yl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 165494609
methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
CID 104828596
methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride
CID 166104815
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
methyl 1,2-dihydropteridine-6-carboxylate
CID 141110396
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
ethane;methyl 5-hydroxypyrimidine-2-carboxylate
CID 145316773
methyl 6-bromopyrazine-2-carboxylate
CID 52988070

Frequently Asked Questions

What is the IUPAC name of methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate?
The IUPAC name of methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate (CID 169233110) is methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate?
The canonical SMILES for methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate is COC(=O)c1cnc2cc(C(C)(C)C)[nH]c2n1.
What is the InChIKey of methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate?
The InChIKey is CFIYCNKLJRIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)9-5-7-10(15-9)14-8(6-13-7)11(16)17-4/h5-6H,1-4H3,(H,14,15).
What are the key properties of methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate?
methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate is sourced from PubChem (CID 169233110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).