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

C6H11N4+ — CID 57234443

IUPAC(5-butyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C6H10N4/c1-2-3-4-5-8-6(7)10-9-5/h7H,2-4H2,1H3/p+1
InChIKeyAXECYEXPCDFKNI-UHFFFAOYSA-O
MW139.18 g/mol
LogP0.16
Rot. Bonds3

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

(5-butyl-1,2,4-triazol-3-ylidene)azanium (PubChem CID 57234443) has the molecular formula C6H11N4+ and a molecular weight of 139.18 g/mol. Its IUPAC name is (5-butyl-1,2,4-triazol-3-ylidene)azanium.

Molecular Properties

Compound Name(5-butyl-1,2,4-triazol-3-ylidene)azanium
PubChem CID57234443
Molecular FormulaC6H11N4+
Molecular Weight139.18 g/mol
Exact Mass139.10
IUPAC Name(5-butyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C6H10N4/c1-2-3-4-5-8-6(7)10-9-5/h7H,2-4H2,1H3/p+1
InChIKeyAXECYEXPCDFKNI-UHFFFAOYSA-O
XLogP0.16
TPSA62.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-butyl-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-butyl-1,2,4-triazol-3-ylidene)azanium?
The IUPAC name of (5-butyl-1,2,4-triazol-3-ylidene)azanium (CID 57234443) is (5-butyl-1,2,4-triazol-3-ylidene)azanium.
What is the SMILES notation for (5-butyl-1,2,4-triazol-3-ylidene)azanium?
The canonical SMILES for (5-butyl-1,2,4-triazol-3-ylidene)azanium is CCCCC1=NC(=[NH2+])N=N1.
What is the InChIKey of (5-butyl-1,2,4-triazol-3-ylidene)azanium?
The InChIKey is AXECYEXPCDFKNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N4/c1-2-3-4-5-8-6(7)10-9-5/h7H,2-4H2,1H3/p+1.
What are the key properties of (5-butyl-1,2,4-triazol-3-ylidene)azanium?
(5-butyl-1,2,4-triazol-3-ylidene)azanium has a molecular weight of 139.18 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-1,2,4-triazol-3-ylidene)azanium is sourced from PubChem (CID 57234443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).