6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

C15H15N3O3 — CID 6538773

IUPAC6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(-c2cc3nccnc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C15H15N3O3/c1-19-12-6-9(7-13(20-2)14(12)21-3)10-8-11-15(18-10)17-5-4-16-11/h4-8H,1-3H3,(H,17,18)
InChIKeyGDVOQQJJTAVRRG-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.65
Rot. Bonds4

About 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538773) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538773
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(-c2cc3nccnc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C15H15N3O3/c1-19-12-6-9(7-13(20-2)14(12)21-3)10-8-11-15(18-10)17-5-4-16-11/h4-8H,1-3H3,(H,17,18)
InChIKeyGDVOQQJJTAVRRG-UHFFFAOYSA-N
XLogP2.65
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538773) is 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(-c2cc3nccnc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GDVOQQJJTAVRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-19-12-6-9(7-13(20-2)14(12)21-3)10-8-11-15(18-10)17-5-4-16-11/h4-8H,1-3H3,(H,17,18).
What are the key properties of 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 285.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).