6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H12N8S — CID 170313963

IUPAC6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc2sccc2c1-c1cnc2c(-c3nn[nH]n3)cnn2c1N
InChIInChI=1S/C16H12N8S/c1-8-2-3-12-9(4-5-25-12)13(8)10-6-18-16-11(15-20-22-23-21-15)7-19-24(16)14(10)17/h2-7H,17H2,1H3,(H,20,21,22,23)
InChIKeyYZMXACJLQQWYCU-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.68
Rot. Bonds2

About 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 170313963) has the molecular formula C16H12N8S and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID170313963
Molecular FormulaC16H12N8S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc2sccc2c1-c1cnc2c(-c3nn[nH]n3)cnn2c1N
InChIInChI=1S/C16H12N8S/c1-8-2-3-12-9(4-5-25-12)13(8)10-6-18-16-11(15-20-22-23-21-15)7-19-24(16)14(10)17/h2-7H,17H2,1H3,(H,20,21,22,23)
InChIKeyYZMXACJLQQWYCU-UHFFFAOYSA-N
XLogP2.68
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 170313963) is 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc2sccc2c1-c1cnc2c(-c3nn[nH]n3)cnn2c1N.
What is the InChIKey of 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YZMXACJLQQWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8S/c1-8-2-3-12-9(4-5-25-12)13(8)10-6-18-16-11(15-20-22-23-21-15)7-19-24(16)14(10)17/h2-7H,17H2,1H3,(H,20,21,22,23).
What are the key properties of 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1-benzothiophen-4-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 170313963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).