2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H9N5S2 — CID 1482342

IUPAC2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1nc2ncc(-c3ccsc3)c(N)n2n1
InChIInChI=1S/C10H9N5S2/c1-16-10-13-9-12-4-7(6-2-3-17-5-6)8(11)15(9)14-10/h2-5H,11H2,1H3
InChIKeyYNDVYIZYRFBGGR-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.16
Rot. Bonds2

About 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1482342) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1482342
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1nc2ncc(-c3ccsc3)c(N)n2n1
InChIInChI=1S/C10H9N5S2/c1-16-10-13-9-12-4-7(6-2-3-17-5-6)8(11)15(9)14-10/h2-5H,11H2,1H3
InChIKeyYNDVYIZYRFBGGR-UHFFFAOYSA-N
XLogP2.16
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
3-(4-Fluorophenyl)-6-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1474449
6-(Methylsulfonyl)-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1477936
5-amino-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carbonitrile
CID 705903
6-(3-Thienyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1476959
6-(Tert-butylsulfonyl)-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1480614
(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-thiophen-2-ylmethyl-amine
CID 3227218
N,2-dimethyl-8-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 24874174
6-tert-butyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 53492917
8-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 137631902
3-Pyridin-4-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 137646892

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1482342) is 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CSc1nc2ncc(-c3ccsc3)c(N)n2n1.
What is the InChIKey of 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YNDVYIZYRFBGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-16-10-13-9-12-4-7(6-2-3-17-5-6)8(11)15(9)14-10/h2-5H,11H2,1H3.
What are the key properties of 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 263.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1482342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).