1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one

C16H26N4O — CID 62929060

IUPAC1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(N2CCCC2CNC2CC2)c1=O
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-10-8-17-14(15(20)21)19-9-4-5-13(19)11-18-12-6-7-12/h8,10,12-13,18H,4-7,9,11H2,1-3H3
InChIKeyQYYMATTUTPFRGF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds4

About 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one

1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one (PubChem CID 62929060) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
PubChem CID62929060
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(N2CCCC2CNC2CC2)c1=O
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-10-8-17-14(15(20)21)19-9-4-5-13(19)11-18-12-6-7-12/h8,10,12-13,18H,4-7,9,11H2,1-3H3
InChIKeyQYYMATTUTPFRGF-UHFFFAOYSA-N
XLogP1.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one (CID 62929060) is 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one is CC(C)(C)n1ccnc(N2CCCC2CNC2CC2)c1=O.
What is the InChIKey of 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one?
The InChIKey is QYYMATTUTPFRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)20-10-8-17-14(15(20)21)19-9-4-5-13(19)11-18-12-6-7-12/h8,10,12-13,18H,4-7,9,11H2,1-3H3.
What are the key properties of 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one?
1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62929060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).