5,6,7-trimethylpyrrolo[2,3-b]pyrazine

C9H11N3 — CID 21364052

IUPAC5,6,7-trimethylpyrrolo[2,3-b]pyrazine
SMILESCc1c(C)n(C)c2nccnc12
InChIInChI=1S/C9H11N3/c1-6-7(2)12(3)9-8(6)10-4-5-11-9/h4-5H,1-3H3
InChIKeyOOBYVMJYAVODQB-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.59
Rot. Bonds

About 5,6,7-trimethylpyrrolo[2,3-b]pyrazine

5,6,7-trimethylpyrrolo[2,3-b]pyrazine (PubChem CID 21364052) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5,6,7-trimethylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5,6,7-trimethylpyrrolo[2,3-b]pyrazine
PubChem CID21364052
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5,6,7-trimethylpyrrolo[2,3-b]pyrazine
SMILESCc1c(C)n(C)c2nccnc12
InChIInChI=1S/C9H11N3/c1-6-7(2)12(3)9-8(6)10-4-5-11-9/h4-5H,1-3H3
InChIKeyOOBYVMJYAVODQB-UHFFFAOYSA-N
XLogP1.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 5,6,7-trimethylpyrrolo[2,3-b]pyrazine (CID 21364052) is 5,6,7-trimethylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5,6,7-trimethylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5,6,7-trimethylpyrrolo[2,3-b]pyrazine is Cc1c(C)n(C)c2nccnc12.
What is the InChIKey of 5,6,7-trimethylpyrrolo[2,3-b]pyrazine?
The InChIKey is OOBYVMJYAVODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-7(2)12(3)9-8(6)10-4-5-11-9/h4-5H,1-3H3.
What are the key properties of 5,6,7-trimethylpyrrolo[2,3-b]pyrazine?
5,6,7-trimethylpyrrolo[2,3-b]pyrazine has a molecular weight of 161.21 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 21364052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).