7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

C6H4Cl2N4O2S — CID 19989233

IUPAC7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1cc(Cl)n2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C6H4Cl2N4O2S/c1-3-2-4(7)12-5(9-3)10-6(11-12)15(8,13)14/h2H,1H3
InChIKeySRTNAKCUTKXMKO-UHFFFAOYSA-N
MW267.10 g/mol
LogP1.01
Rot. Bonds1

About 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 19989233) has the molecular formula C6H4Cl2N4O2S and a molecular weight of 267.10 g/mol. Its IUPAC name is 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID19989233
Molecular FormulaC6H4Cl2N4O2S
Molecular Weight267.10 g/mol
Exact Mass265.94
IUPAC Name7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1cc(Cl)n2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C6H4Cl2N4O2S/c1-3-2-4(7)12-5(9-3)10-6(11-12)15(8,13)14/h2H,1H3
InChIKeySRTNAKCUTKXMKO-UHFFFAOYSA-N
XLogP1.01
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 520127
7-Chloro-2,5-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 15575744
7-Chloro-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1500131
7-Chloro-2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 13019083
7-Chloro-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 6625149
5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 595832
5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 611232
7-Chloro-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 83096542
5-Fluoromethyl-7-chloro-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 14623472
5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 19837378
7-Chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53391869
7-Chloro-2-(fluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidine
CID 124171584

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 19989233) is 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is Cc1cc(Cl)n2nc(S(=O)(=O)Cl)nc2n1.
What is the InChIKey of 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is SRTNAKCUTKXMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4O2S/c1-3-2-4(7)12-5(9-3)10-6(11-12)15(8,13)14/h2H,1H3.
What are the key properties of 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 267.10 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 19989233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).