7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C9H6N4S — CID 900945

IUPAC7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1csc(-c2ccnc3ncnn23)c1
InChIInChI=1S/C9H6N4S/c1-2-8(14-5-1)7-3-4-10-9-11-6-12-13(7)9/h1-6H
InChIKeyJEOSZQXJBIJVHX-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.85
Rot. Bonds1

About 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 900945) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID900945
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1csc(-c2ccnc3ncnn23)c1
InChIInChI=1S/C9H6N4S/c1-2-8(14-5-1)7-3-4-10-9-11-6-12-13(7)9/h1-6H
InChIKeyJEOSZQXJBIJVHX-UHFFFAOYSA-N
XLogP1.85
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 900945) is 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1csc(-c2ccnc3ncnn23)c1.
What is the InChIKey of 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JEOSZQXJBIJVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c1-2-8(14-5-1)7-3-4-10-9-11-6-12-13(7)9/h1-6H.
What are the key properties of 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 202.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 900945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).