7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C18H17FN4 — CID 2967392

IUPAC7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2CC(c3cccc(F)c3)n3ncnc3N2)cc1
InChIInChI=1S/C18H17FN4/c1-12-5-7-13(8-6-12)16-10-17(14-3-2-4-15(19)9-14)23-18(22-16)20-11-21-23/h2-9,11,16-17H,10H2,1H3,(H,20,21,22)
InChIKeyBTHQEIRJINLYCC-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.87
Rot. Bonds2

About 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2967392) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2967392
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2CC(c3cccc(F)c3)n3ncnc3N2)cc1
InChIInChI=1S/C18H17FN4/c1-12-5-7-13(8-6-12)16-10-17(14-3-2-4-15(19)9-14)23-18(22-16)20-11-21-23/h2-9,11,16-17H,10H2,1H3,(H,20,21,22)
InChIKeyBTHQEIRJINLYCC-UHFFFAOYSA-N
XLogP3.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[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

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2967392) is 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(C2CC(c3cccc(F)c3)n3ncnc3N2)cc1.
What is the InChIKey of 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BTHQEIRJINLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-12-5-7-13(8-6-12)16-10-17(14-3-2-4-15(19)9-14)23-18(22-16)20-11-21-23/h2-9,11,16-17H,10H2,1H3,(H,20,21,22).
What are the key properties of 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 308.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2967392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).