5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine

C12H6Cl3N5 — CID 150249800

IUPAC5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine
SMILESClc1ccc(-n2cc(Cl)nn2)c(-c2ncncc2Cl)c1
InChIInChI=1S/C12H6Cl3N5/c13-7-1-2-10(20-5-11(15)18-19-20)8(3-7)12-9(14)4-16-6-17-12/h1-6H
InChIKeyFZHGJFOCCWJUGT-UHFFFAOYSA-N
MW326.57 g/mol
LogP3.68
Rot. Bonds2

About 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine

5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine (PubChem CID 150249800) has the molecular formula C12H6Cl3N5 and a molecular weight of 326.57 g/mol. Its IUPAC name is 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine
PubChem CID150249800
Molecular FormulaC12H6Cl3N5
Molecular Weight326.57 g/mol
Exact Mass324.97
IUPAC Name5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine
SMILESClc1ccc(-n2cc(Cl)nn2)c(-c2ncncc2Cl)c1
InChIInChI=1S/C12H6Cl3N5/c13-7-1-2-10(20-5-11(15)18-19-20)8(3-7)12-9(14)4-16-6-17-12/h1-6H
InChIKeyFZHGJFOCCWJUGT-UHFFFAOYSA-N
XLogP3.68
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1H-pyrimidin-6-one
CID 136969573
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-fluoro-1H-pyrimidin-6-one
CID 136969576
4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine
CID 152539675
5-chloro-2-(4-chlorotriazol-1-yl)benzamide
CID 167015047
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine
CID 167169918
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-1-methylpyrimidin-2-one
CID 167170017
4-[2-(4-bromotriazol-1-yl)-5-chlorophenyl]-6-methoxypyrimidine
CID 118277210
4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine
CID 91088222
[1-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]triazol-4-yl]-dimethylsulfanium
CID 146838452
2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide
CID 162758267
4-(2,5-dichlorophenyl)pyrimidine
CID 130088774
1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile
CID 171779034

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine?
The IUPAC name of 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine (CID 150249800) is 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine.
What is the SMILES notation for 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine?
The canonical SMILES for 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine is Clc1ccc(-n2cc(Cl)nn2)c(-c2ncncc2Cl)c1.
What is the InChIKey of 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine?
The InChIKey is FZHGJFOCCWJUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N5/c13-7-1-2-10(20-5-11(15)18-19-20)8(3-7)12-9(14)4-16-6-17-12/h1-6H.
What are the key properties of 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine?
5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine has a molecular weight of 326.57 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]pyrimidine is sourced from PubChem (CID 150249800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).