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

C11H15N3 — CID 147144510

IUPAC7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1cnc2[nH]cc(C(C)(C)C)c2n1
InChIInChI=1S/C11H15N3/c1-7-5-12-10-9(14-7)8(6-13-10)11(2,3)4/h5-6H,1-4H3,(H,12,13)
InChIKeyBSTXGYFAODZTSR-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.56
Rot. Bonds

About 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine

7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 147144510) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID147144510
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1cnc2[nH]cc(C(C)(C)C)c2n1
InChIInChI=1S/C11H15N3/c1-7-5-12-10-9(14-7)8(6-13-10)11(2,3)4/h5-6H,1-4H3,(H,12,13)
InChIKeyBSTXGYFAODZTSR-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine (CID 147144510) is 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine is Cc1cnc2[nH]cc(C(C)(C)C)c2n1.
What is the InChIKey of 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is BSTXGYFAODZTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-5-12-10-9(14-7)8(6-13-10)11(2,3)4/h5-6H,1-4H3,(H,12,13).
What are the key properties of 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine?
7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 189.26 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 147144510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).