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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Related Compounds

1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrazin-2-one
CID 62938875
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
CID 62940431
1-methyl-3-[[(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholin-2-yl]methylamino]pyrazin-2-one
CID 129339038
3-fluoro-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 62734741
2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile
CID 62523720
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214870
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
CID 62940429
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 62939908

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).