1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one

C17H19N5O — CID 9193926

IUPAC1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one
SMILESCCN(Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C17H19N5O/c1-2-20(13-15-9-5-3-6-10-15)14-21-17(23)22(19-18-21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyGMYXUMCNSHVZHJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.91
Rot. Bonds6

About 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one

1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one (PubChem CID 9193926) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one
PubChem CID9193926
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one
SMILESCCN(Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C17H19N5O/c1-2-20(13-15-9-5-3-6-10-15)14-21-17(23)22(19-18-21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyGMYXUMCNSHVZHJ-UHFFFAOYSA-N
XLogP1.91
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-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 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one?
The IUPAC name of 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one (CID 9193926) is 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one?
The canonical SMILES for 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one is CCN(Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=O.
What is the InChIKey of 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one?
The InChIKey is GMYXUMCNSHVZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-20(13-15-9-5-3-6-10-15)14-21-17(23)22(19-18-21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one?
1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one has a molecular weight of 309.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one is sourced from PubChem (CID 9193926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).