6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one

C11H14ClN3O — CID 115473872

IUPAC6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCCN1c2nc(Cl)ccc2NC(=O)C1(C)C
InChIInChI=1S/C11H14ClN3O/c1-4-15-9-7(5-6-8(12)14-9)13-10(16)11(15,2)3/h5-6H,4H2,1-3H3,(H,13,16)
InChIKeyZXYFPDGTFQQBPH-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.29
Rot. Bonds1

About 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one

6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 115473872) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID115473872
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCCN1c2nc(Cl)ccc2NC(=O)C1(C)C
InChIInChI=1S/C11H14ClN3O/c1-4-15-9-7(5-6-8(12)14-9)13-10(16)11(15,2)3/h5-6H,4H2,1-3H3,(H,13,16)
InChIKeyZXYFPDGTFQQBPH-UHFFFAOYSA-N
XLogP2.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 19932785
6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 115473937
4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one
CID 79291560
6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one
CID 158550425
2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one
CID 130326984
(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 57151233
4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one
CID 134833977
2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one
CID 170254370
7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 115473848
2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one
CID 87516822
4-(6-chloro-3-nitro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 63608150
2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one
CID 130326939

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one (CID 115473872) is 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one is CCN1c2nc(Cl)ccc2NC(=O)C1(C)C.
What is the InChIKey of 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is ZXYFPDGTFQQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-4-15-9-7(5-6-8(12)14-9)13-10(16)11(15,2)3/h5-6H,4H2,1-3H3,(H,13,16).
What are the key properties of 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one?
6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 239.71 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 115473872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).