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

C15H11ClN4S — CID 3630784

IUPAC7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1C=C(c2cccs2)Nc2ncnn21
InChIInChI=1S/C15H11ClN4S/c16-11-5-2-1-4-10(11)13-8-12(14-6-3-7-21-14)19-15-17-9-18-20(13)15/h1-9,13H,(H,17,18,19)
InChIKeyNZTGOTNUKXQXND-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.05
Rot. Bonds2

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

7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3630784) has the molecular formula C15H11ClN4S and a molecular weight of 314.80 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3630784
Molecular FormulaC15H11ClN4S
Molecular Weight314.80 g/mol
Exact Mass314.04
IUPAC Name7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1C=C(c2cccs2)Nc2ncnn21
InChIInChI=1S/C15H11ClN4S/c16-11-5-2-1-4-10(11)13-8-12(14-6-3-7-21-14)19-15-17-9-18-20(13)15/h1-9,13H,(H,17,18,19)
InChIKeyNZTGOTNUKXQXND-UHFFFAOYSA-N
XLogP4.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-Dichlorophenyl)-7-thiophen-2-yl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2948187
7-(4-Chlorophenyl)-5-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 402917
5-(4-Bromo-phenyl)-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3346485
7-Thiophen-2-yl-5-p-tolyl-4,7-dihydro-tetrazolo[1,5-a]pyrimidine
CID 3514594
5-(4-Fluorophenyl)-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4681097
3-[7-(2-Chloro-phenyl)-5-thiophen-2-YL-4,7-dihydro-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL]-propan-1-OL
CID 3243672
5-(4-Chlorophenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 5194755
5-Phenyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3155615
5-(2,4-Dichlorophenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3154581
7-(3-Fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4139913
5-(4-Fluorophenyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4358524
7-(2-Chlorophenyl)-5-(thiophen-2-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4615701

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3630784) is 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccccc1C1C=C(c2cccs2)Nc2ncnn21.
What is the InChIKey of 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NZTGOTNUKXQXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4S/c16-11-5-2-1-4-10(11)13-8-12(14-6-3-7-21-14)19-15-17-9-18-20(13)15/h1-9,13H,(H,17,18,19).
What are the key properties of 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 314.80 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3630784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).