5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one

C19H23N7O — CID 164930547

IUPAC5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESCN1CCN(C(c2ccc(=O)[nH]c2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C19H23N7O/c1-24-9-11-25(12-10-24)18(16-7-8-17(27)20-13-16)19-21-22-23-26(19)14-15-5-3-2-4-6-15/h2-8,13,18H,9-12,14H2,1H3,(H,20,27)
InChIKeyOUDCWBQFIDOZTJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP0.75
Rot. Bonds5

About 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one

5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 164930547) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID164930547
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESCN1CCN(C(c2ccc(=O)[nH]c2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C19H23N7O/c1-24-9-11-25(12-10-24)18(16-7-8-17(27)20-13-16)19-21-22-23-26(19)14-15-5-3-2-4-6-15/h2-8,13,18H,9-12,14H2,1H3,(H,20,27)
InChIKeyOUDCWBQFIDOZTJ-UHFFFAOYSA-N
XLogP0.75
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one 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 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one (CID 164930547) is 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one is CN1CCN(C(c2ccc(=O)[nH]c2)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is OUDCWBQFIDOZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-9-11-25(12-10-24)18(16-7-8-17(27)20-13-16)19-21-22-23-26(19)14-15-5-3-2-4-6-15/h2-8,13,18H,9-12,14H2,1H3,(H,20,27).
What are the key properties of 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 365.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 164930547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).