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

C7H13N4+ — CID 56985751

IUPAC(5-pentyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C7H12N4/c1-2-3-4-5-6-9-7(8)11-10-6/h8H,2-5H2,1H3/p+1
InChIKeyBYUUUVXAKDEJPA-UHFFFAOYSA-O
MW153.21 g/mol
LogP0.55
Rot. Bonds4

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

(5-pentyl-1,2,4-triazol-3-ylidene)azanium (PubChem CID 56985751) has the molecular formula C7H13N4+ and a molecular weight of 153.21 g/mol. Its IUPAC name is (5-pentyl-1,2,4-triazol-3-ylidene)azanium.

Molecular Properties

Compound Name(5-pentyl-1,2,4-triazol-3-ylidene)azanium
PubChem CID56985751
Molecular FormulaC7H13N4+
Molecular Weight153.21 g/mol
Exact Mass153.11
IUPAC Name(5-pentyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C7H12N4/c1-2-3-4-5-6-9-7(8)11-10-6/h8H,2-5H2,1H3/p+1
InChIKeyBYUUUVXAKDEJPA-UHFFFAOYSA-O
XLogP0.55
TPSA62.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.55
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-pentyl-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-pentyl-1,2,4-triazol-3-ylidene)azanium?
The IUPAC name of (5-pentyl-1,2,4-triazol-3-ylidene)azanium (CID 56985751) is (5-pentyl-1,2,4-triazol-3-ylidene)azanium.
What is the SMILES notation for (5-pentyl-1,2,4-triazol-3-ylidene)azanium?
The canonical SMILES for (5-pentyl-1,2,4-triazol-3-ylidene)azanium is CCCCCC1=NC(=[NH2+])N=N1.
What is the InChIKey of (5-pentyl-1,2,4-triazol-3-ylidene)azanium?
The InChIKey is BYUUUVXAKDEJPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N4/c1-2-3-4-5-6-9-7(8)11-10-6/h8H,2-5H2,1H3/p+1.
What are the key properties of (5-pentyl-1,2,4-triazol-3-ylidene)azanium?
(5-pentyl-1,2,4-triazol-3-ylidene)azanium has a molecular weight of 153.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentyl-1,2,4-triazol-3-ylidene)azanium is sourced from PubChem (CID 56985751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).