7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C9H10Cl2N4 — CID 12671298

IUPAC7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(Cl)c1CC(C)Cl
InChIInChI=1S/C9H10Cl2N4/c1-5(10)3-7-6(2)14-9-12-4-13-15(9)8(7)11/h4-5H,3H2,1-2H3
InChIKeyFTKDTAIJEHEFQJ-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.26
Rot. Bonds2

About 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 12671298) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID12671298
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC Name7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(Cl)c1CC(C)Cl
InChIInChI=1S/C9H10Cl2N4/c1-5(10)3-7-6(2)14-9-12-4-13-15(9)8(7)11/h4-5H,3H2,1-2H3
InChIKeyFTKDTAIJEHEFQJ-UHFFFAOYSA-N
XLogP2.26
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-chloro-6-(2-chloropropyl)-5-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 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 12671298) is 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(Cl)c1CC(C)Cl.
What is the InChIKey of 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FTKDTAIJEHEFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c1-5(10)3-7-6(2)14-9-12-4-13-15(9)8(7)11/h4-5H,3H2,1-2H3.
What are the key properties of 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 245.11 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12671298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).