1-benzyl-3-tert-butyl-5-chloropyrazin-2-one

C15H17ClN2O — CID 15733303

IUPAC1-benzyl-3-tert-butyl-5-chloropyrazin-2-one
SMILESCC(C)(C)c1nc(Cl)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C15H17ClN2O/c1-15(2,3)13-14(19)18(10-12(16)17-13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyDBSAQQMQIOYEPC-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.24
Rot. Bonds2

About 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one

1-benzyl-3-tert-butyl-5-chloropyrazin-2-one (PubChem CID 15733303) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-5-chloropyrazin-2-one
PubChem CID15733303
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-benzyl-3-tert-butyl-5-chloropyrazin-2-one
SMILESCC(C)(C)c1nc(Cl)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C15H17ClN2O/c1-15(2,3)13-14(19)18(10-12(16)17-13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyDBSAQQMQIOYEPC-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078397
methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate
CID 16752456
2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide
CID 16752454
3-benzyl-5-tert-butyl-2-methylimidazol-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one?
The IUPAC name of 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one (CID 15733303) is 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one.
What is the SMILES notation for 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one?
The canonical SMILES for 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one is CC(C)(C)c1nc(Cl)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one?
The InChIKey is DBSAQQMQIOYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-15(2,3)13-14(19)18(10-12(16)17-13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one?
1-benzyl-3-tert-butyl-5-chloropyrazin-2-one has a molecular weight of 276.77 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-5-chloropyrazin-2-one is sourced from PubChem (CID 15733303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).