7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C10H7ClN4OS — CID 81122277

IUPAC7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOc1ccsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H7ClN4OS/c1-16-6-2-3-17-9(6)10-14-13-8-4-7(11)12-5-15(8)10/h2-5H,1H3
InChIKeyULLOAICNPUIWEK-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.51
Rot. Bonds2

About 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 81122277) has the molecular formula C10H7ClN4OS and a molecular weight of 266.71 g/mol. Its IUPAC name is 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID81122277
Molecular FormulaC10H7ClN4OS
Molecular Weight266.71 g/mol
Exact Mass266.00
IUPAC Name7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOc1ccsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H7ClN4OS/c1-16-6-2-3-17-9(6)10-14-13-8-4-7(11)12-5-15(8)10/h2-5H,1H3
InChIKeyULLOAICNPUIWEK-UHFFFAOYSA-N
XLogP2.51
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 81122277) is 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is COc1ccsc1-c1nnc2cc(Cl)ncn12.
What is the InChIKey of 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is ULLOAICNPUIWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4OS/c1-16-6-2-3-17-9(6)10-14-13-8-4-7(11)12-5-15(8)10/h2-5H,1H3.
What are the key properties of 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 266.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 81122277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).