5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine

C11H10N4S — CID 42631941

IUPAC5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(-c3cccs3)n2c(C)n1
InChIInChI=1S/C11H10N4S/c1-7-6-10-13-14-11(9-4-3-5-16-9)15(10)8(2)12-7/h3-6H,1-2H3
InChIKeyCLXVFFLAOUJXSY-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.47
Rot. Bonds1

About 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine

5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 42631941) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID42631941
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(-c3cccs3)n2c(C)n1
InChIInChI=1S/C11H10N4S/c1-7-6-10-13-14-11(9-4-3-5-16-9)15(10)8(2)12-7/h3-6H,1-2H3
InChIKeyCLXVFFLAOUJXSY-UHFFFAOYSA-N
XLogP2.47
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 42631941) is 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc2nnc(-c3cccs3)n2c(C)n1.
What is the InChIKey of 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is CLXVFFLAOUJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-6-10-13-14-11(9-4-3-5-16-9)15(10)8(2)12-7/h3-6H,1-2H3.
What are the key properties of 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 230.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 42631941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).