1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium

C7H13N5 — CID 58123742

IUPAC1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium
SMILES[CH2-][NH+]1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C7H13N5/c1-12-4-2-3-6(5-12)7-8-10-11-9-7/h6,12H,1-5H2,(H,8,9,10,11)
InChIKeyRADCOPVELVWXCY-UHFFFAOYSA-N
MW167.22 g/mol
LogP-1.25
Rot. Bonds1

About 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium

1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium (PubChem CID 58123742) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium.

Molecular Properties

Compound Name1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium
PubChem CID58123742
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium
SMILES[CH2-][NH+]1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C7H13N5/c1-12-4-2-3-6(5-12)7-8-10-11-9-7/h6,12H,1-5H2,(H,8,9,10,11)
InChIKeyRADCOPVELVWXCY-UHFFFAOYSA-N
XLogP-1.25
TPSA58.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-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-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium?
The IUPAC name of 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium (CID 58123742) is 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium.
What is the SMILES notation for 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium?
The canonical SMILES for 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium is [CH2-][NH+]1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium?
The InChIKey is RADCOPVELVWXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-12-4-2-3-6(5-12)7-8-10-11-9-7/h6,12H,1-5H2,(H,8,9,10,11).
What are the key properties of 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium?
1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium has a molecular weight of 167.22 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium is sourced from PubChem (CID 58123742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).