7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

C12H11ClN4S — CID 65428590

IUPAC7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc(-c2nnc3cc(Cl)nc(C)n23)sc1C
InChIInChI=1S/C12H11ClN4S/c1-6-4-9(18-7(6)2)12-16-15-11-5-10(13)14-8(3)17(11)12/h4-5H,1-3H3
InChIKeyJZLQYCRHVHAXMG-UHFFFAOYSA-N
MW278.77 g/mol
LogP3.43
Rot. Bonds1

About 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 65428590) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID65428590
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc(-c2nnc3cc(Cl)nc(C)n23)sc1C
InChIInChI=1S/C12H11ClN4S/c1-6-4-9(18-7(6)2)12-16-15-11-5-10(13)14-8(3)17(11)12/h4-5H,1-3H3
InChIKeyJZLQYCRHVHAXMG-UHFFFAOYSA-N
XLogP3.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 65428590) is 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc(-c2nnc3cc(Cl)nc(C)n23)sc1C.
What is the InChIKey of 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is JZLQYCRHVHAXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c1-6-4-9(18-7(6)2)12-16-15-11-5-10(13)14-8(3)17(11)12/h4-5H,1-3H3.
What are the key properties of 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 278.77 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 65428590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).