[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride

C4H8ClN5O — CID 137238686

IUPAC[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride
SMILESNC(Cn1cncn1)=[NH+]O.[Cl-]
InChIInChI=1S/C4H7N5O.ClH/c5-4(8-10)1-9-3-6-2-7-9;/h2-3,10H,1H2,(H2,5,8);1H
InChIKeyGLJLLLOIMJXTCM-UHFFFAOYSA-N
MW177.60 g/mol
LogP-5.89
Rot. Bonds2

About [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride

[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride (PubChem CID 137238686) has the molecular formula C4H8ClN5O and a molecular weight of 177.60 g/mol. Its IUPAC name is [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride.

Molecular Properties

Compound Name[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride
PubChem CID137238686
Molecular FormulaC4H8ClN5O
Molecular Weight177.60 g/mol
Exact Mass177.04
IUPAC Name[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride
SMILESNC(Cn1cncn1)=[NH+]O.[Cl-]
InChIInChI=1S/C4H7N5O.ClH/c5-4(8-10)1-9-3-6-2-7-9;/h2-3,10H,1H2,(H2,5,8);1H
InChIKeyGLJLLLOIMJXTCM-UHFFFAOYSA-N
XLogP-5.89
TPSA90.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.60
LogP ≤ 5-5.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide
CID 6285578
[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-[(2,4-dichlorophenyl)methoxy]azanium chloride
CID 2766524
[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-(3,3-dimethoxypropanoylamino)azanium
CID 7043190
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanediamide
CID 136576473
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
1-[(E)-2-ethenylbut-2-enyl]-1,2,4-triazole
CID 143148586
1,2,4-triazol-1-ylmethylphosphane
CID 67877171
1,2,4-triazol-1-ylmethylsilane
CID 123456022
10-(1,2,4-triazol-1-yl)decan-1-amine
CID 19742667
4-(1,2,4-triazol-1-yl)but-2-yn-1-amine
CID 130118690
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
5-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 1473650

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride?
The IUPAC name of [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride (CID 137238686) is [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride.
What is the SMILES notation for [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride?
The canonical SMILES for [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride is NC(Cn1cncn1)=[NH+]O.[Cl-].
What is the InChIKey of [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride?
The InChIKey is GLJLLLOIMJXTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.ClH/c5-4(8-10)1-9-3-6-2-7-9;/h2-3,10H,1H2,(H2,5,8);1H.
What are the key properties of [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride?
[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride has a molecular weight of 177.60 g/mol, XLogP of -5.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-hydroxyazanium chloride is sourced from PubChem (CID 137238686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).