4-(1,2,4-triazol-4-yl)piperidin-1-ium

C7H13N4+ — CID 51898081

IUPAC4-(1,2,4-triazol-4-yl)piperidin-1-ium
SMILESc1nncn1C1CC[NH2+]CC1
InChIInChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-5-9-10-6-11/h5-8H,1-4H2/p+1
InChIKeyOQHDZWPNEOFLCW-UHFFFAOYSA-O
MW153.21 g/mol
LogP-0.82
Rot. Bonds1

About 4-(1,2,4-triazol-4-yl)piperidin-1-ium

4-(1,2,4-triazol-4-yl)piperidin-1-ium (PubChem CID 51898081) has the molecular formula C7H13N4+ and a molecular weight of 153.21 g/mol. Its IUPAC name is 4-(1,2,4-triazol-4-yl)piperidin-1-ium.

Molecular Properties

Compound Name4-(1,2,4-triazol-4-yl)piperidin-1-ium
PubChem CID51898081
Molecular FormulaC7H13N4+
Molecular Weight153.21 g/mol
Exact Mass153.11
IUPAC Name4-(1,2,4-triazol-4-yl)piperidin-1-ium
SMILESc1nncn1C1CC[NH2+]CC1
InChIInChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-5-9-10-6-11/h5-8H,1-4H2/p+1
InChIKeyOQHDZWPNEOFLCW-UHFFFAOYSA-O
XLogP-0.82
TPSA47.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,2,4-triazol-4-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 4-(1,2,4-triazol-4-yl)piperidin-1-ium?
The IUPAC name of 4-(1,2,4-triazol-4-yl)piperidin-1-ium (CID 51898081) is 4-(1,2,4-triazol-4-yl)piperidin-1-ium.
What is the SMILES notation for 4-(1,2,4-triazol-4-yl)piperidin-1-ium?
The canonical SMILES for 4-(1,2,4-triazol-4-yl)piperidin-1-ium is c1nncn1C1CC[NH2+]CC1.
What is the InChIKey of 4-(1,2,4-triazol-4-yl)piperidin-1-ium?
The InChIKey is OQHDZWPNEOFLCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-5-9-10-6-11/h5-8H,1-4H2/p+1.
What are the key properties of 4-(1,2,4-triazol-4-yl)piperidin-1-ium?
4-(1,2,4-triazol-4-yl)piperidin-1-ium has a molecular weight of 153.21 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-4-yl)piperidin-1-ium is sourced from PubChem (CID 51898081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).