5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C6H4Cl2N4 — CID 23194370

IUPAC5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1Cl
InChIInChI=1S/C6H4Cl2N4/c1-3-4(7)11-6-9-2-10-12(6)5(3)8/h2H,1H3
InChIKeyYGIKKMZWXWEZNM-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.74
Rot. Bonds

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

5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 23194370) has the molecular formula C6H4Cl2N4 and a molecular weight of 203.03 g/mol. Its IUPAC name is 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID23194370
Molecular FormulaC6H4Cl2N4
Molecular Weight203.03 g/mol
Exact Mass201.98
IUPAC Name5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1Cl
InChIInChI=1S/C6H4Cl2N4/c1-3-4(7)11-6-9-2-10-12(6)5(3)8/h2H,1H3
InChIKeyYGIKKMZWXWEZNM-UHFFFAOYSA-N
XLogP1.74
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 23194370) is 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1Cl.
What is the InChIKey of 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YGIKKMZWXWEZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4/c1-3-4(7)11-6-9-2-10-12(6)5(3)8/h2H,1H3.
What are the key properties of 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 203.03 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 23194370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).