4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one

C11H12ClN3O — CID 164662772

IUPAC4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one
SMILESCC(C)(C)n1c(=O)c(Cl)nc2cccnc21
InChIInChI=1S/C11H12ClN3O/c1-11(2,3)15-9-7(5-4-6-13-9)14-8(12)10(15)16/h4-6H,1-3H3
InChIKeyKCEFDLKYHLNZDN-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.20
Rot. Bonds

About 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one

4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one (PubChem CID 164662772) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one
PubChem CID164662772
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one
SMILESCC(C)(C)n1c(=O)c(Cl)nc2cccnc21
InChIInChI=1S/C11H12ClN3O/c1-11(2,3)15-9-7(5-4-6-13-9)14-8(12)10(15)16/h4-6H,1-3H3
InChIKeyKCEFDLKYHLNZDN-UHFFFAOYSA-N
XLogP2.20
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
1,3-ditert-butylimidazo[4,5-b]pyridin-2-one
CID 177289044
3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160933
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
CID 86730915
2-hydrazinyl-4-methylpyrido[2,3-b]pyrazin-3-one
CID 71786184
3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162586
7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 11458952
7,12,14,25,27,32-hexazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8(13),9,11,16,18,20,22,26(31),27,29,32,34(38),35,39-octadecaene-15,24-dione
CID 58766243
3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165077
lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate
CID 156675221
acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
CID 144894477

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one (CID 164662772) is 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one is CC(C)(C)n1c(=O)c(Cl)nc2cccnc21.
What is the InChIKey of 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one?
The InChIKey is KCEFDLKYHLNZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-11(2,3)15-9-7(5-4-6-13-9)14-8(12)10(15)16/h4-6H,1-3H3.
What are the key properties of 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one?
4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one has a molecular weight of 237.69 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 164662772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).