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

C10H6Cl2N4O — CID 86212333

IUPAC5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2nc(-c3ccco3)nn2c1Cl
InChIInChI=1S/C10H6Cl2N4O/c1-5-7(11)13-10-14-9(6-3-2-4-17-6)15-16(10)8(5)12/h2-4H,1H3
InChIKeyPSSNXONPPXIIKT-UHFFFAOYSA-N
MW269.09 g/mol
LogP3.00
Rot. Bonds1

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

5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 86212333) has the molecular formula C10H6Cl2N4O and a molecular weight of 269.09 g/mol. Its IUPAC name is 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID86212333
Molecular FormulaC10H6Cl2N4O
Molecular Weight269.09 g/mol
Exact Mass267.99
IUPAC Name5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2nc(-c3ccco3)nn2c1Cl
InChIInChI=1S/C10H6Cl2N4O/c1-5-7(11)13-10-14-9(6-3-2-4-17-6)15-16(10)8(5)12/h2-4H,1H3
InChIKeyPSSNXONPPXIIKT-UHFFFAOYSA-N
XLogP3.00
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-2-(furan-2-yl)-6-methyl-[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 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 86212333) is 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2nc(-c3ccco3)nn2c1Cl.
What is the InChIKey of 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PSSNXONPPXIIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O/c1-5-7(11)13-10-14-9(6-3-2-4-17-6)15-16(10)8(5)12/h2-4H,1H3.
What are the key properties of 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 269.09 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86212333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).