1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one

C11H13N3O2 — CID 62940791

IUPAC1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(C)c2=O)o1
InChIInChI=1S/C11H13N3O2/c1-8-3-4-9(16-8)7-13-10-11(15)14(2)6-5-12-10/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyVAXAUUHSYQLWAZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.29
Rot. Bonds3

About 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one

1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one (PubChem CID 62940791) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
PubChem CID62940791
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(C)c2=O)o1
InChIInChI=1S/C11H13N3O2/c1-8-3-4-9(16-8)7-13-10-11(15)14(2)6-5-12-10/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyVAXAUUHSYQLWAZ-UHFFFAOYSA-N
XLogP1.29
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one (CID 62940791) is 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one is Cc1ccc(CNc2nccn(C)c2=O)o1.
What is the InChIKey of 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one?
The InChIKey is VAXAUUHSYQLWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-3-4-9(16-8)7-13-10-11(15)14(2)6-5-12-10/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one?
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62940791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).