7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C17H15ClFN5 — CID 5133593

IUPAC7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccc(F)cc1)N2
InChIInChI=1S/C17H15ClFN5/c18-12-5-1-11(2-6-12)15-9-14(10-3-7-13(19)8-4-10)21-17-22-16(20)23-24(15)17/h1-8,14-15H,9H2,(H3,20,21,22,23)
InChIKeyHCJBKZMEYWRYNU-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.80
Rot. Bonds2

About 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 5133593) has the molecular formula C17H15ClFN5 and a molecular weight of 343.79 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID5133593
Molecular FormulaC17H15ClFN5
Molecular Weight343.79 g/mol
Exact Mass343.10
IUPAC Name7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccc(F)cc1)N2
InChIInChI=1S/C17H15ClFN5/c18-12-5-1-11(2-6-12)15-9-14(10-3-7-13(19)8-4-10)21-17-22-16(20)23-24(15)17/h1-8,14-15H,9H2,(H3,20,21,22,23)
InChIKeyHCJBKZMEYWRYNU-UHFFFAOYSA-N
XLogP3.80
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine 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-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 5133593) is 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccc(F)cc1)N2.
What is the InChIKey of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is HCJBKZMEYWRYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5/c18-12-5-1-11(2-6-12)15-9-14(10-3-7-13(19)8-4-10)21-17-22-16(20)23-24(15)17/h1-8,14-15H,9H2,(H3,20,21,22,23).
What are the key properties of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 343.79 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 5133593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).