5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H9Cl3N4 — CID 114514628

IUPAC5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccccc1-c1c(Cl)nc2nc(C3CC3)nn2c1Cl
InChIInChI=1S/C14H9Cl3N4/c15-9-4-2-1-3-8(9)10-11(16)18-14-19-13(7-5-6-7)20-21(14)12(10)17/h1-4,7H,5-6H2
InChIKeyNCYZJPBBZGMGPW-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.63
Rot. Bonds2

About 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 114514628) has the molecular formula C14H9Cl3N4 and a molecular weight of 339.61 g/mol. Its IUPAC name is 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID114514628
Molecular FormulaC14H9Cl3N4
Molecular Weight339.61 g/mol
Exact Mass337.99
IUPAC Name5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccccc1-c1c(Cl)nc2nc(C3CC3)nn2c1Cl
InChIInChI=1S/C14H9Cl3N4/c15-9-4-2-1-3-8(9)10-11(16)18-14-19-13(7-5-6-7)20-21(14)12(10)17/h1-4,7H,5-6H2
InChIKeyNCYZJPBBZGMGPW-UHFFFAOYSA-N
XLogP4.63
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.63
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-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 114514628) is 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccccc1-c1c(Cl)nc2nc(C3CC3)nn2c1Cl.
What is the InChIKey of 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NCYZJPBBZGMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N4/c15-9-4-2-1-3-8(9)10-11(16)18-14-19-13(7-5-6-7)20-21(14)12(10)17/h1-4,7H,5-6H2.
What are the key properties of 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 339.61 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 114514628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).