ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine

C10H15N3S — CID 143656235

IUPACethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCC.CSc1ccnc2c(C)cnn12
InChIInChI=1S/C8H9N3S.C2H6/c1-6-5-10-11-7(12-2)3-4-9-8(6)11;1-2/h3-5H,1-2H3;1-2H3
InChIKeyGPDGHYBFYOKKAB-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.79
Rot. Bonds1

About ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine

ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine (PubChem CID 143656235) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine
PubChem CID143656235
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Nameethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCC.CSc1ccnc2c(C)cnn12
InChIInChI=1S/C8H9N3S.C2H6/c1-6-5-10-11-7(12-2)3-4-9-8(6)11;1-2/h3-5H,1-2H3;1-2H3
InChIKeyGPDGHYBFYOKKAB-UHFFFAOYSA-N
XLogP2.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine (CID 143656235) is ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine is CC.CSc1ccnc2c(C)cnn12.
What is the InChIKey of ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GPDGHYBFYOKKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S.C2H6/c1-6-5-10-11-7(12-2)3-4-9-8(6)11;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine?
ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine has a molecular weight of 209.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 143656235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).