4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine

C13H17N5S — CID 146079604

IUPAC4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine
SMILESCc1cc(C)n(-c2nccnc2N2CCSCC2)n1
InChIInChI=1S/C13H17N5S/c1-10-9-11(2)18(16-10)13-12(14-3-4-15-13)17-5-7-19-8-6-17/h3-4,9H,5-8H2,1-2H3
InChIKeyZZMLMXHHGBRKHC-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.83
Rot. Bonds2

About 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine

4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine (PubChem CID 146079604) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine
PubChem CID146079604
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine
SMILESCc1cc(C)n(-c2nccnc2N2CCSCC2)n1
InChIInChI=1S/C13H17N5S/c1-10-9-11(2)18(16-10)13-12(14-3-4-15-13)17-5-7-19-8-6-17/h3-4,9H,5-8H2,1-2H3
InChIKeyZZMLMXHHGBRKHC-UHFFFAOYSA-N
XLogP1.83
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine?
The IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine (CID 146079604) is 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine.
What is the SMILES notation for 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine?
The canonical SMILES for 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine is Cc1cc(C)n(-c2nccnc2N2CCSCC2)n1.
What is the InChIKey of 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine?
The InChIKey is ZZMLMXHHGBRKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-10-9-11(2)18(16-10)13-12(14-3-4-15-13)17-5-7-19-8-6-17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine?
4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine has a molecular weight of 275.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]thiomorpholine is sourced from PubChem (CID 146079604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).