7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole

C10H9N5S — CID 70313324

IUPAC7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
SMILESCSc1nccc(-c2c[nH]n3ccnc23)n1
InChIInChI=1S/C10H9N5S/c1-16-10-12-3-2-8(14-10)7-6-13-15-5-4-11-9(7)15/h2-6,13H,1H3
InChIKeyRSNSAGYHFMIUDB-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.84
Rot. Bonds2

About 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole

7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole (PubChem CID 70313324) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
PubChem CID70313324
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
SMILESCSc1nccc(-c2c[nH]n3ccnc23)n1
InChIInChI=1S/C10H9N5S/c1-16-10-12-3-2-8(14-10)7-6-13-15-5-4-11-9(7)15/h2-6,13H,1H3
InChIKeyRSNSAGYHFMIUDB-UHFFFAOYSA-N
XLogP1.84
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole?
The IUPAC name of 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole (CID 70313324) is 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole.
What is the SMILES notation for 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole?
The canonical SMILES for 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole is CSc1nccc(-c2c[nH]n3ccnc23)n1.
What is the InChIKey of 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole?
The InChIKey is RSNSAGYHFMIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-16-10-12-3-2-8(14-10)7-6-13-15-5-4-11-9(7)15/h2-6,13H,1H3.
What are the key properties of 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole?
7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole has a molecular weight of 231.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole is sourced from PubChem (CID 70313324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).