3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one

C12H19N3O2 — CID 103742779

IUPAC3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one
SMILESCOC1CC(Nc2nccn(C)c2=O)C1(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2)8(7-9(12)17-4)14-10-11(16)15(3)6-5-13-10/h5-6,8-9H,7H2,1-4H3,(H,13,14)
InChIKeyHUQJRKQHJALKGD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.01
Rot. Bonds3

About 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one

3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one (PubChem CID 103742779) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one
PubChem CID103742779
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one
SMILESCOC1CC(Nc2nccn(C)c2=O)C1(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2)8(7-9(12)17-4)14-10-11(16)15(3)6-5-13-10/h5-6,8-9H,7H2,1-4H3,(H,13,14)
InChIKeyHUQJRKQHJALKGD-UHFFFAOYSA-N
XLogP1.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one (CID 103742779) is 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one is COC1CC(Nc2nccn(C)c2=O)C1(C)C.
What is the InChIKey of 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one?
The InChIKey is HUQJRKQHJALKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2)8(7-9(12)17-4)14-10-11(16)15(3)6-5-13-10/h5-6,8-9H,7H2,1-4H3,(H,13,14).
What are the key properties of 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one?
3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 103742779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).