4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol

C13H11N3O — CID 135434952

IUPAC4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
SMILESCc1c(-c2ccc(O)cc2)[nH]c2nccnc12
InChIInChI=1S/C13H11N3O/c1-8-11(9-2-4-10(17)5-3-9)16-13-12(8)14-6-7-15-13/h2-7,17H,1H3,(H,15,16)
InChIKeyVDOHDCXDESGVKC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds1

About 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol

4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol (PubChem CID 135434952) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol.

Molecular Properties

Compound Name4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
PubChem CID135434952
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
SMILESCc1c(-c2ccc(O)cc2)[nH]c2nccnc12
InChIInChI=1S/C13H11N3O/c1-8-11(9-2-4-10(17)5-3-9)16-13-12(8)14-6-7-15-13/h2-7,17H,1H3,(H,15,16)
InChIKeyVDOHDCXDESGVKC-UHFFFAOYSA-N
XLogP2.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The IUPAC name of 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol (CID 135434952) is 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol.
What is the SMILES notation for 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The canonical SMILES for 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol is Cc1c(-c2ccc(O)cc2)[nH]c2nccnc12.
What is the InChIKey of 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The InChIKey is VDOHDCXDESGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-11(9-2-4-10(17)5-3-9)16-13-12(8)14-6-7-15-13/h2-7,17H,1H3,(H,15,16).
What are the key properties of 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol has a molecular weight of 225.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol is sourced from PubChem (CID 135434952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).