6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C11H9ClN4O — CID 935032

IUPAC6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccco3)nn2c(C)c1Cl
InChIInChI=1S/C11H9ClN4O/c1-6-9(12)7(2)16-11(13-6)14-10(15-16)8-4-3-5-17-8/h3-5H,1-2H3
InChIKeyDKWSXTXLQJALAS-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.65
Rot. Bonds1

About 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 935032) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID935032
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccco3)nn2c(C)c1Cl
InChIInChI=1S/C11H9ClN4O/c1-6-9(12)7(2)16-11(13-6)14-10(15-16)8-4-3-5-17-8/h3-5H,1-2H3
InChIKeyDKWSXTXLQJALAS-UHFFFAOYSA-N
XLogP2.65
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 935032) is 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(-c3ccco3)nn2c(C)c1Cl.
What is the InChIKey of 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DKWSXTXLQJALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-6-9(12)7(2)16-11(13-6)14-10(15-16)8-4-3-5-17-8/h3-5H,1-2H3.
What are the key properties of 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 248.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 935032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).