7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C17H13ClN4 — CID 2834904

IUPAC7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
InChIInChI=1S/C17H13ClN4/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-17-19-11-20-22(16)17/h1-11,16H,(H,19,20,21)
InChIKeyQJXUSTBBAIGSOR-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.99
Rot. Bonds2

About 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2834904) has the molecular formula C17H13ClN4 and a molecular weight of 308.77 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2834904
Molecular FormulaC17H13ClN4
Molecular Weight308.77 g/mol
Exact Mass308.08
IUPAC Name7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
InChIInChI=1S/C17H13ClN4/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-17-19-11-20-22(16)17/h1-11,16H,(H,19,20,21)
InChIKeyQJXUSTBBAIGSOR-UHFFFAOYSA-N
XLogP3.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2834904) is 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QJXUSTBBAIGSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-17-19-11-20-22(16)17/h1-11,16H,(H,19,20,21).
What are the key properties of 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 308.77 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2834904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).