azanium;1H-1,2,4-triazol-5-amine;sulfamate

C2H10N6O3S — CID 67195265

IUPACazanium;1H-1,2,4-triazol-5-amine;sulfamate
SMILESNS(=O)(=O)[O-].Nc1ncn[nH]1.[NH4+]
InChIInChI=1S/C2H4N4.H3NO3S.H3N/c3-2-4-1-5-6-2;1-5(2,3)4;/h1H,(H3,3,4,5,6);(H3,1,2,3,4);1H3
InChIKeyMEKNUGDBPPGCNP-UHFFFAOYSA-N
MW198.21 g/mol
LogP-1.83
Rot. Bonds

About azanium;1H-1,2,4-triazol-5-amine;sulfamate

azanium;1H-1,2,4-triazol-5-amine;sulfamate (PubChem CID 67195265) has the molecular formula C2H10N6O3S and a molecular weight of 198.21 g/mol. Its IUPAC name is azanium;1H-1,2,4-triazol-5-amine;sulfamate.

Molecular Properties

Compound Nameazanium;1H-1,2,4-triazol-5-amine;sulfamate
PubChem CID67195265
Molecular FormulaC2H10N6O3S
Molecular Weight198.21 g/mol
Exact Mass198.05
IUPAC Nameazanium;1H-1,2,4-triazol-5-amine;sulfamate
SMILESNS(=O)(=O)[O-].Nc1ncn[nH]1.[NH4+]
InChIInChI=1S/C2H4N4.H3NO3S.H3N/c3-2-4-1-5-6-2;1-5(2,3)4;/h1H,(H3,3,4,5,6);(H3,1,2,3,4);1H3
InChIKeyMEKNUGDBPPGCNP-UHFFFAOYSA-N
XLogP-1.83
TPSA187.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium;1H-1,2,4-triazol-5-amine;sulfamate?
The IUPAC name of azanium;1H-1,2,4-triazol-5-amine;sulfamate (CID 67195265) is azanium;1H-1,2,4-triazol-5-amine;sulfamate.
What is the SMILES notation for azanium;1H-1,2,4-triazol-5-amine;sulfamate?
The canonical SMILES for azanium;1H-1,2,4-triazol-5-amine;sulfamate is NS(=O)(=O)[O-].Nc1ncn[nH]1.[NH4+].
What is the InChIKey of azanium;1H-1,2,4-triazol-5-amine;sulfamate?
The InChIKey is MEKNUGDBPPGCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.H3NO3S.H3N/c3-2-4-1-5-6-2;1-5(2,3)4;/h1H,(H3,3,4,5,6);(H3,1,2,3,4);1H3.
What are the key properties of azanium;1H-1,2,4-triazol-5-amine;sulfamate?
azanium;1H-1,2,4-triazol-5-amine;sulfamate has a molecular weight of 198.21 g/mol, XLogP of -1.83, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;1H-1,2,4-triazol-5-amine;sulfamate is sourced from PubChem (CID 67195265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).