2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione

C10H10FN3S — CID 122543726

IUPAC2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
SMILESCC(C)c1cc2nc(F)cnc2[nH]c1=S
InChIInChI=1S/C10H10FN3S/c1-5(2)6-3-7-9(14-10(6)15)12-4-8(11)13-7/h3-5H,1-2H3,(H,12,14,15)
InChIKeyVWTJHUZXUKQKHA-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.95
Rot. Bonds1

About 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione

2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione (PubChem CID 122543726) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione.

Molecular Properties

Compound Name2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
PubChem CID122543726
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
SMILESCC(C)c1cc2nc(F)cnc2[nH]c1=S
InChIInChI=1S/C10H10FN3S/c1-5(2)6-3-7-9(14-10(6)15)12-4-8(11)13-7/h3-5H,1-2H3,(H,12,14,15)
InChIKeyVWTJHUZXUKQKHA-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione with MolForge

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Related Compounds

2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
CID 122543734
2-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 122543721
5-fluoro-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
CID 122543701
6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
CID 122543709
4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 130179083
5,6-di(propan-2-yl)-2H-benzotriazole
CID 118098380
2,3,6-trifluoro-4-propan-2-ylpyridine
CID 155383026
2-fluoro-6,7-dimethylquinoxaline
CID 10654851
3,6-difluoro-2-methyl-4-propan-2-ylpyridine
CID 159755748
5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543639
5-fluoro-2-propan-2-yl-1H-imidazole
CID 146392910
7-methyl-2-(2-methylpropyl)-4H-pyrido[2,3-b]pyrazin-3-one
CID 132584780

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione?
The IUPAC name of 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione (CID 122543726) is 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione.
What is the SMILES notation for 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione?
The canonical SMILES for 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione is CC(C)c1cc2nc(F)cnc2[nH]c1=S.
What is the InChIKey of 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione?
The InChIKey is VWTJHUZXUKQKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-5(2)6-3-7-9(14-10(6)15)12-4-8(11)13-7/h3-5H,1-2H3,(H,12,14,15).
What are the key properties of 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione?
2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione has a molecular weight of 223.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione is sourced from PubChem (CID 122543726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).