[amino(1,2,4-triazol-1-yl)methylidene]azanium chloride

C3H6ClN5 — CID 11571826

IUPAC[amino(1,2,4-triazol-1-yl)methylidene]azanium chloride
SMILESNC(=[NH2+])n1cncn1.[Cl-]
InChIInChI=1S/C3H5N5.ClH/c4-3(5)8-2-6-1-7-8;/h1-2H,(H3,4,5);1H
InChIKeyJDDXNENZFOOLTP-UHFFFAOYSA-N
MW147.57 g/mol
LogP-5.80
Rot. Bonds

About [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride

[amino(1,2,4-triazol-1-yl)methylidene]azanium chloride (PubChem CID 11571826) has the molecular formula C3H6ClN5 and a molecular weight of 147.57 g/mol. Its IUPAC name is [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino(1,2,4-triazol-1-yl)methylidene]azanium chloride
PubChem CID11571826
Molecular FormulaC3H6ClN5
Molecular Weight147.57 g/mol
Exact Mass147.03
IUPAC Name[amino(1,2,4-triazol-1-yl)methylidene]azanium chloride
SMILESNC(=[NH2+])n1cncn1.[Cl-]
InChIInChI=1S/C3H5N5.ClH/c4-3(5)8-2-6-1-7-8;/h1-2H,(H3,4,5);1H
InChIKeyJDDXNENZFOOLTP-UHFFFAOYSA-N
XLogP-5.80
TPSA82.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 5-5.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride 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 [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride?
The IUPAC name of [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride (CID 11571826) is [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride.
What is the SMILES notation for [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride?
The canonical SMILES for [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride is NC(=[NH2+])n1cncn1.[Cl-].
What is the InChIKey of [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride?
The InChIKey is JDDXNENZFOOLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5.ClH/c4-3(5)8-2-6-1-7-8;/h1-2H,(H3,4,5);1H.
What are the key properties of [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride?
[amino(1,2,4-triazol-1-yl)methylidene]azanium chloride has a molecular weight of 147.57 g/mol, XLogP of -5.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(1,2,4-triazol-1-yl)methylidene]azanium chloride is sourced from PubChem (CID 11571826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).