1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one

C12H20N4O — CID 62929010

IUPAC1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCNC2)c1=O
InChIInChI=1S/C12H20N4O/c1-12(2,3)16-7-6-14-10(11(16)17)15-9-4-5-13-8-9/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyQLBKHZLNWCQRLL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.77
Rot. Bonds2

About 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one

1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one (PubChem CID 62929010) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
PubChem CID62929010
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCNC2)c1=O
InChIInChI=1S/C12H20N4O/c1-12(2,3)16-7-6-14-10(11(16)17)15-9-4-5-13-8-9/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyQLBKHZLNWCQRLL-UHFFFAOYSA-N
XLogP0.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one
CID 63321025
1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one
CID 62927934
1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 63661414
1-tert-butyl-3-(cyclooctylamino)pyrazin-2-one
CID 62938781
1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one
CID 62939668
1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one
CID 113467280
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
CID 63644296
3-[(2-amino-2-cyclopropylethyl)amino]-1-tert-butylpyrazin-2-one
CID 55243356
1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
CID 115041761
3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876094
1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 63660882

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one (CID 62929010) is 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NC2CCNC2)c1=O.
What is the InChIKey of 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one?
The InChIKey is QLBKHZLNWCQRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)16-7-6-14-10(11(16)17)15-9-4-5-13-8-9/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one?
1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one is sourced from PubChem (CID 62929010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).