1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one

C12H17N3O2 — CID 116605952

IUPAC1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCOc1nccnc1C(=O)CCC1CCNC1
InChIInChI=1S/C12H17N3O2/c1-17-12-11(14-6-7-15-12)10(16)3-2-9-4-5-13-8-9/h6-7,9,13H,2-5,8H2,1H3
InChIKeyWENCAHDUGYLMEU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.06
Rot. Bonds5

About 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one

1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one (PubChem CID 116605952) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
PubChem CID116605952
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCOc1nccnc1C(=O)CCC1CCNC1
InChIInChI=1S/C12H17N3O2/c1-17-12-11(14-6-7-15-12)10(16)3-2-9-4-5-13-8-9/h6-7,9,13H,2-5,8H2,1H3
InChIKeyWENCAHDUGYLMEU-UHFFFAOYSA-N
XLogP1.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
CID 106677606
1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 24843580
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606120
1-(3-methoxypyrazin-2-yl)octan-1-one
CID 115797152
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
CID 22262657
N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 71642923
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104
1-(3-methoxypyrazin-2-yl)butane-1,3-dione
CID 55262325
1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one
CID 116605893
3-pyrrolidin-3-ylpropanoic acid
CID 12825648

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one (CID 116605952) is 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one is COc1nccnc1C(=O)CCC1CCNC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one?
The InChIKey is WENCAHDUGYLMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12-11(14-6-7-15-12)10(16)3-2-9-4-5-13-8-9/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one?
1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one has a molecular weight of 235.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 116605952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).