2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine

C11H17N5S — CID 71921350

IUPAC2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine
SMILESCc1nc2ncnn2c(SCCN(C)C)c1C
InChIInChI=1S/C11H17N5S/c1-8-9(2)14-11-12-7-13-16(11)10(8)17-6-5-15(3)4/h7H,5-6H2,1-4H3
InChIKeyUEGQRJCCLZJQIQ-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.39
Rot. Bonds4

About 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine

2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine (PubChem CID 71921350) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine
PubChem CID71921350
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine
SMILESCc1nc2ncnn2c(SCCN(C)C)c1C
InChIInChI=1S/C11H17N5S/c1-8-9(2)14-11-12-7-13-16(11)10(8)17-6-5-15(3)4/h7H,5-6H2,1-4H3
InChIKeyUEGQRJCCLZJQIQ-UHFFFAOYSA-N
XLogP1.39
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine (CID 71921350) is 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine is Cc1nc2ncnn2c(SCCN(C)C)c1C.
What is the InChIKey of 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine?
The InChIKey is UEGQRJCCLZJQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-8-9(2)14-11-12-7-13-16(11)10(8)17-6-5-15(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine?
2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine has a molecular weight of 251.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 71921350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).