5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

C6H7N5S — CID 1491809

IUPAC5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCSc1nc(N)cc2ncnn12
InChIInChI=1S/C6H7N5S/c1-12-6-10-4(7)2-5-8-3-9-11(5)6/h2-3H,7H2,1H3
InChIKeyLQWFBJQUUPZEDY-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.43
Rot. Bonds1

About 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (PubChem CID 1491809) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
PubChem CID1491809
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCSc1nc(N)cc2ncnn12
InChIInChI=1S/C6H7N5S/c1-12-6-10-4(7)2-5-8-3-9-11(5)6/h2-3H,7H2,1H3
InChIKeyLQWFBJQUUPZEDY-UHFFFAOYSA-N
XLogP0.43
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (CID 1491809) is 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is CSc1nc(N)cc2ncnn12.
What is the InChIKey of 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is LQWFBJQUUPZEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-12-6-10-4(7)2-5-8-3-9-11(5)6/h2-3H,7H2,1H3.
What are the key properties of 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 181.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 1491809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).