2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine

C23H20ClN5 — CID 54584119

IUPAC2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine
SMILESCn1c(-c2ccc(-c3cnccn3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)20-15-25-13-14-26-20)27-28-22(29)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-15H,2,11-12H2,1H3
InChIKeyPZAIZRLLCHXVBJ-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.06
Rot. Bonds4

About 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine

2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine (PubChem CID 54584119) has the molecular formula C23H20ClN5 and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine
PubChem CID54584119
Molecular FormulaC23H20ClN5
Molecular Weight401.90 g/mol
Exact Mass401.14
IUPAC Name2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine
SMILESCn1c(-c2ccc(-c3cnccn3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)20-15-25-13-14-26-20)27-28-22(29)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-15H,2,11-12H2,1H3
InChIKeyPZAIZRLLCHXVBJ-UHFFFAOYSA-N
XLogP5.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine 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 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine (CID 54584119) is 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine is Cn1c(-c2ccc(-c3cnccn3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine?
The InChIKey is PZAIZRLLCHXVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)20-15-25-13-14-26-20)27-28-22(29)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-15H,2,11-12H2,1H3.
What are the key properties of 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine?
2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine has a molecular weight of 401.90 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 54584119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).