1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium

C17H18N5+ — CID 10499916

IUPAC1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium
SMILESc1ccc(-n2nc(N3CCCC3)[n+](-c3ccccc3)n2)cc1
InChIInChI=1S/C17H18N5/c1-3-9-15(10-4-1)21-17(20-13-7-8-14-20)18-22(19-21)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/q+1
InChIKeyDYCSCNYEZRVOPW-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.14
Rot. Bonds3

About 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium

1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium (PubChem CID 10499916) has the molecular formula C17H18N5+ and a molecular weight of 292.37 g/mol. Its IUPAC name is 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium.

Molecular Properties

Compound Name1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium
PubChem CID10499916
Molecular FormulaC17H18N5+
Molecular Weight292.37 g/mol
Exact Mass292.16
IUPAC Name1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium
SMILESc1ccc(-n2nc(N3CCCC3)[n+](-c3ccccc3)n2)cc1
InChIInChI=1S/C17H18N5/c1-3-9-15(10-4-1)21-17(20-13-7-8-14-20)18-22(19-21)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/q+1
InChIKeyDYCSCNYEZRVOPW-UHFFFAOYSA-N
XLogP2.14
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium 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 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium?
The IUPAC name of 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium (CID 10499916) is 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium.
What is the SMILES notation for 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium?
The canonical SMILES for 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium is c1ccc(-n2nc(N3CCCC3)[n+](-c3ccccc3)n2)cc1.
What is the InChIKey of 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium?
The InChIKey is DYCSCNYEZRVOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N5/c1-3-9-15(10-4-1)21-17(20-13-7-8-14-20)18-22(19-21)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/q+1.
What are the key properties of 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium?
1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium has a molecular weight of 292.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-pyrrolidin-1-yltetrazol-1-ium is sourced from PubChem (CID 10499916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).