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

C18H12Cl2N4O — CID 22440098

IUPAC5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1nc2ncnn2c(Cl)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H12Cl2N4O/c19-16-15(17(20)24-18(23-16)21-11-22-24)13-8-4-5-9-14(13)25-10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyPYHINTYYQUQIMZ-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.68
Rot. Bonds4

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

5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 22440098) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID22440098
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC Name5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1nc2ncnn2c(Cl)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H12Cl2N4O/c19-16-15(17(20)24-18(23-16)21-11-22-24)13-8-4-5-9-14(13)25-10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyPYHINTYYQUQIMZ-UHFFFAOYSA-N
XLogP4.68
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 22440098) is 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1nc2ncnn2c(Cl)c1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PYHINTYYQUQIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c19-16-15(17(20)24-18(23-16)21-11-22-24)13-8-4-5-9-14(13)25-10-12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 371.23 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22440098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).