(5-octyl-1,2,4-triazol-3-ylidene)azanium

C10H19N4+ — CID 57302274

IUPAC(5-octyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C10H18N4/c1-2-3-4-5-6-7-8-9-12-10(11)14-13-9/h11H,2-8H2,1H3/p+1
InChIKeyDPLHLVTZCPYSGI-UHFFFAOYSA-O
MW195.29 g/mol
LogP1.72
Rot. Bonds7

About (5-octyl-1,2,4-triazol-3-ylidene)azanium

(5-octyl-1,2,4-triazol-3-ylidene)azanium (PubChem CID 57302274) has the molecular formula C10H19N4+ and a molecular weight of 195.29 g/mol. Its IUPAC name is (5-octyl-1,2,4-triazol-3-ylidene)azanium.

Molecular Properties

Compound Name(5-octyl-1,2,4-triazol-3-ylidene)azanium
PubChem CID57302274
Molecular FormulaC10H19N4+
Molecular Weight195.29 g/mol
Exact Mass195.16
IUPAC Name(5-octyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C10H18N4/c1-2-3-4-5-6-7-8-9-12-10(11)14-13-9/h11H,2-8H2,1H3/p+1
InChIKeyDPLHLVTZCPYSGI-UHFFFAOYSA-O
XLogP1.72
TPSA62.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5-octyl-1,2,4-triazol-3-ylidene)azanium 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-octyl-1,2,4-triazol-3-ylidene)azanium?
The IUPAC name of (5-octyl-1,2,4-triazol-3-ylidene)azanium (CID 57302274) is (5-octyl-1,2,4-triazol-3-ylidene)azanium.
What is the SMILES notation for (5-octyl-1,2,4-triazol-3-ylidene)azanium?
The canonical SMILES for (5-octyl-1,2,4-triazol-3-ylidene)azanium is CCCCCCCCC1=NC(=[NH2+])N=N1.
What is the InChIKey of (5-octyl-1,2,4-triazol-3-ylidene)azanium?
The InChIKey is DPLHLVTZCPYSGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N4/c1-2-3-4-5-6-7-8-9-12-10(11)14-13-9/h11H,2-8H2,1H3/p+1.
What are the key properties of (5-octyl-1,2,4-triazol-3-ylidene)azanium?
(5-octyl-1,2,4-triazol-3-ylidene)azanium has a molecular weight of 195.29 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-octyl-1,2,4-triazol-3-ylidene)azanium is sourced from PubChem (CID 57302274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).