benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone

C17H17N5O — CID 46831765

IUPACbenzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)n1nnc2ccccc21
InChIInChI=1S/C17H17N5O/c23-17(22-16-9-5-4-8-15(16)18-19-22)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyMWFZDBOASDJVCY-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.22
Rot. Bonds1

About benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone

benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 46831765) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID46831765
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Namebenzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)n1nnc2ccccc21
InChIInChI=1S/C17H17N5O/c23-17(22-16-9-5-4-8-15(16)18-19-22)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyMWFZDBOASDJVCY-UHFFFAOYSA-N
XLogP2.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone (CID 46831765) is benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccc2)CC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MWFZDBOASDJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(22-16-9-5-4-8-15(16)18-19-22)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone?
benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 46831765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).