3-(4-tert-butylanilino)-1-ethylpyrazin-2-one

C16H21N3O — CID 133446905

IUPAC3-(4-tert-butylanilino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Nc2ccc(C(C)(C)C)cc2)c1=O
InChIInChI=1S/C16H21N3O/c1-5-19-11-10-17-14(15(19)20)18-13-8-6-12(7-9-13)16(2,3)4/h6-11H,5H2,1-4H3,(H,17,18)
InChIKeyJNFLSGSRMQSXSC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds3

About 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one

3-(4-tert-butylanilino)-1-ethylpyrazin-2-one (PubChem CID 133446905) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-1-ethylpyrazin-2-one
PubChem CID133446905
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(4-tert-butylanilino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Nc2ccc(C(C)(C)C)cc2)c1=O
InChIInChI=1S/C16H21N3O/c1-5-19-11-10-17-14(15(19)20)18-13-8-6-12(7-9-13)16(2,3)4/h6-11H,5H2,1-4H3,(H,17,18)
InChIKeyJNFLSGSRMQSXSC-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one (CID 133446905) is 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one is CCn1ccnc(Nc2ccc(C(C)(C)C)cc2)c1=O.
What is the InChIKey of 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one?
The InChIKey is JNFLSGSRMQSXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-19-11-10-17-14(15(19)20)18-13-8-6-12(7-9-13)16(2,3)4/h6-11H,5H2,1-4H3,(H,17,18).
What are the key properties of 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one?
3-(4-tert-butylanilino)-1-ethylpyrazin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-1-ethylpyrazin-2-one is sourced from PubChem (CID 133446905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).