1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine

C19H21N5 — CID 90731714

IUPAC1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine
SMILESc1ccc(C(c2cn[nH]n2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)19(18-15-20-22-21-18)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,20,21,22)
InChIKeyXFJYQALBBYFSLV-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.72
Rot. Bonds4

About 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine

1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine (PubChem CID 90731714) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine
PubChem CID90731714
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine
SMILESc1ccc(C(c2cn[nH]n2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)19(18-15-20-22-21-18)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,20,21,22)
InChIKeyXFJYQALBBYFSLV-UHFFFAOYSA-N
XLogP2.72
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine?
The IUPAC name of 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine (CID 90731714) is 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine is c1ccc(C(c2cn[nH]n2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine?
The InChIKey is XFJYQALBBYFSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-7-16(8-4-1)19(18-15-20-22-21-18)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,20,21,22).
What are the key properties of 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine?
1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine has a molecular weight of 319.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[phenyl(2H-triazol-4-yl)methyl]piperazine is sourced from PubChem (CID 90731714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).