1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine

C22H27N5 — CID 15575696

IUPAC1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine
SMILESCc1ccccc1N1CCN(CCCc2nncn2-c2ccccc2)CC1
InChIInChI=1S/C22H27N5/c1-19-8-5-6-11-21(19)26-16-14-25(15-17-26)13-7-12-22-24-23-18-27(22)20-9-3-2-4-10-20/h2-6,8-11,18H,7,12-17H2,1H3
InChIKeySCJVHGVAASGIKT-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.33
Rot. Bonds6

About 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine

1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine (PubChem CID 15575696) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine
PubChem CID15575696
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine
SMILESCc1ccccc1N1CCN(CCCc2nncn2-c2ccccc2)CC1
InChIInChI=1S/C22H27N5/c1-19-8-5-6-11-21(19)26-16-14-25(15-17-26)13-7-12-22-24-23-18-27(22)20-9-3-2-4-10-20/h2-6,8-11,18H,7,12-17H2,1H3
InChIKeySCJVHGVAASGIKT-UHFFFAOYSA-N
XLogP3.33
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine?
The IUPAC name of 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine (CID 15575696) is 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine is Cc1ccccc1N1CCN(CCCc2nncn2-c2ccccc2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine?
The InChIKey is SCJVHGVAASGIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-19-8-5-6-11-21(19)26-16-14-25(15-17-26)13-7-12-22-24-23-18-27(22)20-9-3-2-4-10-20/h2-6,8-11,18H,7,12-17H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine?
1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine has a molecular weight of 361.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine is sourced from PubChem (CID 15575696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).