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

C5H2Cl2N4 — CID 13491837

IUPAC5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C5H2Cl2N4/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-2H
InChIKeyLQKFTGMXROMIGG-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.43
Rot. Bonds

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

5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 13491837) has the molecular formula C5H2Cl2N4 and a molecular weight of 189.01 g/mol. Its IUPAC name is 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID13491837
Molecular FormulaC5H2Cl2N4
Molecular Weight189.01 g/mol
Exact Mass187.97
IUPAC Name5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C5H2Cl2N4/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-2H
InChIKeyLQKFTGMXROMIGG-UHFFFAOYSA-N
XLogP1.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,7-dichloro-[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

Related Compounds

1,2,4-Triazolo(1,5-a)pyrimidine
CID 636456
5,7-Dichloropyrazolo[1,5-a]pyrimidine
CID 11074154
7-Chloropyrazolo[1,5-a]pyrimidine
CID 12281647
5-Chloropyrazolo(1,5-a)pyrimidine
CID 21071759
5-Chloro-(1,2,4)triazolo(1,5-a)pyrimidin-7-amine
CID 103691667
3-Tert-butyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144431
5-Chloro-[1,2,4]triazolo[1,5-c]pyrimidine
CID 12603817
7-Chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 16227411
7-Chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 21766612
5,7-Dichloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 23194370
7-Chloro-3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144420
7-Chloro-3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144440

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 13491837) is 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cc(Cl)n2ncnc2n1.
What is the InChIKey of 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LQKFTGMXROMIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-2H.
What are the key properties of 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 189.01 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 13491837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).