6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine

C12H15N3O2 — CID 80858650

IUPAC6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(OCc2ccco2)n1
InChIInChI=1S/C12H15N3O2/c1-2-5-14-11-7-13-8-12(15-11)17-9-10-4-3-6-16-10/h3-4,6-8H,2,5,9H2,1H3,(H,14,15)
InChIKeyMJJBSUJNHQGTJG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.47
Rot. Bonds6

About 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine

6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine (PubChem CID 80858650) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine
PubChem CID80858650
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(OCc2ccco2)n1
InChIInChI=1S/C12H15N3O2/c1-2-5-14-11-7-13-8-12(15-11)17-9-10-4-3-6-16-10/h3-4,6-8H,2,5,9H2,1H3,(H,14,15)
InChIKeyMJJBSUJNHQGTJG-UHFFFAOYSA-N
XLogP2.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine (CID 80858650) is 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine is CCCNc1cncc(OCc2ccco2)n1.
What is the InChIKey of 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine?
The InChIKey is MJJBSUJNHQGTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-5-14-11-7-13-8-12(15-11)17-9-10-4-3-6-16-10/h3-4,6-8H,2,5,9H2,1H3,(H,14,15).
What are the key properties of 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine?
6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine is sourced from PubChem (CID 80858650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).