1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one

C14H23N3O — CID 83144354

IUPAC1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one
SMILESCC(CNc1nccn(C2CC2)c1=O)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(14(2,3)4)9-16-12-13(18)17(8-7-15-12)11-5-6-11/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyRJYHXQZIZWJVIW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.67
Rot. Bonds4

About 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one

1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one (PubChem CID 83144354) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one
PubChem CID83144354
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one
SMILESCC(CNc1nccn(C2CC2)c1=O)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(14(2,3)4)9-16-12-13(18)17(8-7-15-12)11-5-6-11/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyRJYHXQZIZWJVIW-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one (CID 83144354) is 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one is CC(CNc1nccn(C2CC2)c1=O)C(C)(C)C.
What is the InChIKey of 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one?
The InChIKey is RJYHXQZIZWJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(14(2,3)4)9-16-12-13(18)17(8-7-15-12)11-5-6-11/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one?
1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one is sourced from PubChem (CID 83144354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).