1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one

C13H19N3O2 — CID 103989758

IUPAC1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one
SMILESCOC1(CNc2nccn(C3CC3)c2=O)CCC1
InChIInChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)9-15-11-12(17)16(8-7-14-11)10-3-4-10/h7-8,10H,2-6,9H2,1H3,(H,14,15)
InChIKeyVCLMWIHFZSNQMS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds5

About 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one

1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one (PubChem CID 103989758) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one
PubChem CID103989758
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one
SMILESCOC1(CNc2nccn(C3CC3)c2=O)CCC1
InChIInChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)9-15-11-12(17)16(8-7-14-11)10-3-4-10/h7-8,10H,2-6,9H2,1H3,(H,14,15)
InChIKeyVCLMWIHFZSNQMS-UHFFFAOYSA-N
XLogP1.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one (CID 103989758) is 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one is COC1(CNc2nccn(C3CC3)c2=O)CCC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one?
The InChIKey is VCLMWIHFZSNQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)9-15-11-12(17)16(8-7-14-11)10-3-4-10/h7-8,10H,2-6,9H2,1H3,(H,14,15).
What are the key properties of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 103989758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).