N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H15N5O2S — CID 75506023

IUPACN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NC2CS(=O)(=O)c3ccccc32)c1C
InChIInChI=1S/C15H15N5O2S/c1-9-10(2)18-15-16-8-17-20(15)14(9)19-12-7-23(21,22)13-6-4-3-5-11(12)13/h3-6,8,12,19H,7H2,1-2H3
InChIKeyJACNZYYGOIWWJN-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.68
Rot. Bonds2

About N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 75506023) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID75506023
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NC2CS(=O)(=O)c3ccccc32)c1C
InChIInChI=1S/C15H15N5O2S/c1-9-10(2)18-15-16-8-17-20(15)14(9)19-12-7-23(21,22)13-6-4-3-5-11(12)13/h3-6,8,12,19H,7H2,1-2H3
InChIKeyJACNZYYGOIWWJN-UHFFFAOYSA-N
XLogP1.68
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 75506023) is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(NC2CS(=O)(=O)c3ccccc32)c1C.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JACNZYYGOIWWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-10(2)18-15-16-8-17-20(15)14(9)19-12-7-23(21,22)13-6-4-3-5-11(12)13/h3-6,8,12,19H,7H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 329.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 75506023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).