4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol

C15H13N3O2 — CID 137154181

IUPAC4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol
SMILESOc1ccc(-c2nccnc2NCc2ccco2)cc1
InChIInChI=1S/C15H13N3O2/c19-12-5-3-11(4-6-12)14-15(17-8-7-16-14)18-10-13-2-1-9-20-13/h1-9,19H,10H2,(H,17,18)
InChIKeyKFPGSBJKBHOGLF-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.05
Rot. Bonds4

About 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol

4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol (PubChem CID 137154181) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol
PubChem CID137154181
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol
SMILESOc1ccc(-c2nccnc2NCc2ccco2)cc1
InChIInChI=1S/C15H13N3O2/c19-12-5-3-11(4-6-12)14-15(17-8-7-16-14)18-10-13-2-1-9-20-13/h1-9,19H,10H2,(H,17,18)
InChIKeyKFPGSBJKBHOGLF-UHFFFAOYSA-N
XLogP3.05
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol?
The IUPAC name of 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol (CID 137154181) is 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol?
The canonical SMILES for 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol is Oc1ccc(-c2nccnc2NCc2ccco2)cc1.
What is the InChIKey of 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol?
The InChIKey is KFPGSBJKBHOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-12-5-3-11(4-6-12)14-15(17-8-7-16-14)18-10-13-2-1-9-20-13/h1-9,19H,10H2,(H,17,18).
What are the key properties of 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol?
4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-ylmethylamino)pyrazin-2-yl]phenol is sourced from PubChem (CID 137154181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).