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

C16H28N4O — CID 62928711

IUPAC1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
SMILESCC(C)NCC1CCCN1c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C16H28N4O/c1-12(2)18-11-13-7-6-9-19(13)14-15(21)20(10-8-17-14)16(3,4)5/h8,10,12-13,18H,6-7,9,11H2,1-5H3
InChIKeyQBIZWCNTGNJBJN-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.97
Rot. Bonds4

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

1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one (PubChem CID 62928711) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
PubChem CID62928711
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
SMILESCC(C)NCC1CCCN1c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C16H28N4O/c1-12(2)18-11-13-7-6-9-19(13)14-15(21)20(10-8-17-14)16(3,4)5/h8,10,12-13,18H,6-7,9,11H2,1-5H3
InChIKeyQBIZWCNTGNJBJN-UHFFFAOYSA-N
XLogP1.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.97
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-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one (CID 62928711) is 1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one is CC(C)NCC1CCCN1c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one?
The InChIKey is QBIZWCNTGNJBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)18-11-13-7-6-9-19(13)14-15(21)20(10-8-17-14)16(3,4)5/h8,10,12-13,18H,6-7,9,11H2,1-5H3.
What are the key properties of 1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one?
1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one has a molecular weight of 292.43 g/mol, XLogP of 1.97, 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-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62928711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).