3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one

C16H26N4O — CID 62938656

IUPAC3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCC2CC3CCC(C2)N3C)c1=O
InChIInChI=1S/C16H26N4O/c1-11(2)20-7-6-17-15(16(20)21)18-10-12-8-13-4-5-14(9-12)19(13)3/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyDZCIFCNGASOPHV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.11
Rot. Bonds4

About 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one

3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62938656) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID62938656
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCC2CC3CCC(C2)N3C)c1=O
InChIInChI=1S/C16H26N4O/c1-11(2)20-7-6-17-15(16(20)21)18-10-12-8-13-4-5-14(9-12)19(13)3/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyDZCIFCNGASOPHV-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one with MolForge

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Related Compounds

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62939854
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
1-ethyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]imidazol-2-amine
CID 62137313
2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730858
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62978693
3-(2-piperidin-1-ylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156035
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61011927
5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974394

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one (CID 62938656) is 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NCC2CC3CCC(C2)N3C)c1=O.
What is the InChIKey of 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is DZCIFCNGASOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)20-7-6-17-15(16(20)21)18-10-12-8-13-4-5-14(9-12)19(13)3/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62938656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).