1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol

C14H19N3O3 — CID 62848280

IUPAC1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
SMILESCc1cnc(CNCC(O)COCc2ccco2)cn1
InChIInChI=1S/C14H19N3O3/c1-11-5-17-12(7-16-11)6-15-8-13(18)9-19-10-14-3-2-4-20-14/h2-5,7,13,15,18H,6,8-10H2,1H3
InChIKeyQCAVZGGRYMKBFI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.05
Rot. Bonds8

About 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol (PubChem CID 62848280) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
PubChem CID62848280
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
SMILESCc1cnc(CNCC(O)COCc2ccco2)cn1
InChIInChI=1S/C14H19N3O3/c1-11-5-17-12(7-16-11)6-15-8-13(18)9-19-10-14-3-2-4-20-14/h2-5,7,13,15,18H,6,8-10H2,1H3
InChIKeyQCAVZGGRYMKBFI-UHFFFAOYSA-N
XLogP1.05
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol (CID 62848280) is 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol is Cc1cnc(CNCC(O)COCc2ccco2)cn1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The InChIKey is QCAVZGGRYMKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11-5-17-12(7-16-11)6-15-8-13(18)9-19-10-14-3-2-4-20-14/h2-5,7,13,15,18H,6,8-10H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol has a molecular weight of 277.32 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 62848280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).