6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one

C30H27N5O — CID 71462014

IUPAC6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
SMILESO=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H27N5O/c36-29-21-27-26(20-28(29)34-18-16-33(17-19-34)22-23-10-4-1-5-11-23)31-30(24-12-6-2-7-13-24)32-35(27)25-14-8-3-9-15-25/h1-15,20-21H,16-19,22H2
InChIKeyBUYJBANPZYRXIG-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.72
Rot. Bonds5

About 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one

6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one (PubChem CID 71462014) has the molecular formula C30H27N5O and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
PubChem CID71462014
Molecular FormulaC30H27N5O
Molecular Weight473.58 g/mol
Exact Mass473.22
IUPAC Name6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
SMILESO=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H27N5O/c36-29-21-27-26(20-28(29)34-18-16-33(17-19-34)22-23-10-4-1-5-11-23)31-30(24-12-6-2-7-13-24)32-35(27)25-14-8-3-9-15-25/h1-15,20-21H,16-19,22H2
InChIKeyBUYJBANPZYRXIG-UHFFFAOYSA-N
XLogP4.72
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one (CID 71462014) is 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one is O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The InChIKey is BUYJBANPZYRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O/c36-29-21-27-26(20-28(29)34-18-16-33(17-19-34)22-23-10-4-1-5-11-23)31-30(24-12-6-2-7-13-24)32-35(27)25-14-8-3-9-15-25/h1-15,20-21H,16-19,22H2.
What are the key properties of 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one?
6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one has a molecular weight of 473.58 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one is sourced from PubChem (CID 71462014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).