3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one

C11H12N4O2 — CID 134160490

IUPAC3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one
SMILESCOc1ccc(Nc2nccn(C)c2=O)cn1
InChIInChI=1S/C11H12N4O2/c1-15-6-5-12-10(11(15)16)14-8-3-4-9(17-2)13-7-8/h3-7H,1-2H3,(H,12,14)
InChIKeyCWYMDMFMILAGPE-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.93
Rot. Bonds3

About 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one

3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one (PubChem CID 134160490) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one
PubChem CID134160490
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one
SMILESCOc1ccc(Nc2nccn(C)c2=O)cn1
InChIInChI=1S/C11H12N4O2/c1-15-6-5-12-10(11(15)16)14-8-3-4-9(17-2)13-7-8/h3-7H,1-2H3,(H,12,14)
InChIKeyCWYMDMFMILAGPE-UHFFFAOYSA-N
XLogP0.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one (CID 134160490) is 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one is COc1ccc(Nc2nccn(C)c2=O)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one?
The InChIKey is CWYMDMFMILAGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-6-5-12-10(11(15)16)14-8-3-4-9(17-2)13-7-8/h3-7H,1-2H3,(H,12,14).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one?
3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one has a molecular weight of 232.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 134160490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).