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

C11H12FN3S — CID 122543734

IUPAC2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
SMILESCc1nc2[nH]c(=S)c(C(C)C)cc2nc1F
InChIInChI=1S/C11H12FN3S/c1-5(2)7-4-8-10(15-11(7)16)13-6(3)9(12)14-8/h4-5H,1-3H3,(H,13,15,16)
InChIKeyPCSPSUCAVDTFHE-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.26
Rot. Bonds1

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

2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione (PubChem CID 122543734) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione.

Molecular Properties

Compound Name2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
PubChem CID122543734
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
SMILESCc1nc2[nH]c(=S)c(C(C)C)cc2nc1F
InChIInChI=1S/C11H12FN3S/c1-5(2)7-4-8-10(15-11(7)16)13-6(3)9(12)14-8/h4-5H,1-3H3,(H,13,15,16)
InChIKeyPCSPSUCAVDTFHE-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
CID 122543726
6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
CID 122543709
5-fluoro-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
CID 122543701
2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione
CID 118004983
3,6-difluoro-2-methyl-4-propan-2-ylpyridine
CID 159755748
5,6-di(propan-2-yl)-2H-benzotriazole
CID 118098380
2,3,6-trifluoro-4-propan-2-ylpyridine
CID 155383026
7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543647
2-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 122543721
5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543656
4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 130179083
6,7-difluoro-3-(methylaminomethyl)-1H-1,8-naphthyridine-2-thione
CID 123703130

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione?
The IUPAC name of 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione (CID 122543734) is 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione.
What is the SMILES notation for 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione?
The canonical SMILES for 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione is Cc1nc2[nH]c(=S)c(C(C)C)cc2nc1F.
What is the InChIKey of 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione?
The InChIKey is PCSPSUCAVDTFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-5(2)7-4-8-10(15-11(7)16)13-6(3)9(12)14-8/h4-5H,1-3H3,(H,13,15,16).
What are the key properties of 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione?
2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione has a molecular weight of 237.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione is sourced from PubChem (CID 122543734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).