7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C17H12Cl2N4 — CID 3527814

IUPAC7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cccc(C2C=C(c3ccccc3)Nc3ncnn32)c1Cl
InChIInChI=1S/C17H12Cl2N4/c18-13-8-4-7-12(16(13)19)15-9-14(11-5-2-1-3-6-11)22-17-20-10-21-23(15)17/h1-10,15H,(H,20,21,22)
InChIKeyGMFUPBWLQNEHDJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.64
Rot. Bonds2

About 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3527814) has the molecular formula C17H12Cl2N4 and a molecular weight of 343.22 g/mol. Its IUPAC name is 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3527814
Molecular FormulaC17H12Cl2N4
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cccc(C2C=C(c3ccccc3)Nc3ncnn32)c1Cl
InChIInChI=1S/C17H12Cl2N4/c18-13-8-4-7-12(16(13)19)15-9-14(11-5-2-1-3-6-11)22-17-20-10-21-23(15)17/h1-10,15H,(H,20,21,22)
InChIKeyGMFUPBWLQNEHDJ-UHFFFAOYSA-N
XLogP4.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3527814) is 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cccc(C2C=C(c3ccccc3)Nc3ncnn32)c1Cl.
What is the InChIKey of 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GMFUPBWLQNEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4/c18-13-8-4-7-12(16(13)19)15-9-14(11-5-2-1-3-6-11)22-17-20-10-21-23(15)17/h1-10,15H,(H,20,21,22).
What are the key properties of 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 343.22 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3527814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).