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

C15H15N3O — CID 135434953

IUPAC4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
SMILESCCCc1c(-c2ccc(O)cc2)[nH]c2nccnc12
InChIInChI=1S/C15H15N3O/c1-2-3-12-13(10-4-6-11(19)7-5-10)18-15-14(12)16-8-9-17-15/h4-9,19H,2-3H2,1H3,(H,17,18)
InChIKeyDCFVBBINGGEBFC-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.28
Rot. Bonds3

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

4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol (PubChem CID 135434953) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol.

Molecular Properties

Compound Name4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
PubChem CID135434953
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
SMILESCCCc1c(-c2ccc(O)cc2)[nH]c2nccnc12
InChIInChI=1S/C15H15N3O/c1-2-3-12-13(10-4-6-11(19)7-5-10)18-15-14(12)16-8-9-17-15/h4-9,19H,2-3H2,1H3,(H,17,18)
InChIKeyDCFVBBINGGEBFC-UHFFFAOYSA-N
XLogP3.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The IUPAC name of 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol (CID 135434953) is 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol.
What is the SMILES notation for 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The canonical SMILES for 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol is CCCc1c(-c2ccc(O)cc2)[nH]c2nccnc12.
What is the InChIKey of 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The InChIKey is DCFVBBINGGEBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-3-12-13(10-4-6-11(19)7-5-10)18-15-14(12)16-8-9-17-15/h4-9,19H,2-3H2,1H3,(H,17,18).
What are the key properties of 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol has a molecular weight of 253.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-propyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol is sourced from PubChem (CID 135434953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).