4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium

C3H7N9O2 — CID 139217309

IUPAC4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium
SMILESNn1c([O-])nnc1-c1nn[nH]n1.[NH3+]O
InChIInChI=1S/C3H4N8O.H4NO/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;1-2/h4H2,(H,8,12)(H,5,6,9,10);2H,1H3/q;+1/p-1
InChIKeyXNCHNGIGHAHJRZ-UHFFFAOYSA-M
MW201.15 g/mol
LogP-4.14
Rot. Bonds1

About 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium

4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium (PubChem CID 139217309) has the molecular formula C3H7N9O2 and a molecular weight of 201.15 g/mol. Its IUPAC name is 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium.

Molecular Properties

Compound Name4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium
PubChem CID139217309
Molecular FormulaC3H7N9O2
Molecular Weight201.15 g/mol
Exact Mass201.07
IUPAC Name4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium
SMILESNn1c([O-])nnc1-c1nn[nH]n1.[NH3+]O
InChIInChI=1S/C3H4N8O.H4NO/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;1-2/h4H2,(H,8,12)(H,5,6,9,10);2H,1H3/q;+1/p-1
InChIKeyXNCHNGIGHAHJRZ-UHFFFAOYSA-M
XLogP-4.14
TPSA182.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 5-4.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazole
CID 102444114
5,5'-Diamino-4,4'-dinitramino-3,3'-bi-1,2,4-triazole
CID 132600863
azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate
CID 139217304
azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate
CID 139217308
5,5-Bis-3-hydrazinyl-4-aminotriazole monohydrate
CID 168339471
N-[3-amino-5-(5-amino-4-nitramido-1,2,4-triazol-3-yl)-1,2,4-triazol-4-yl]nitramide;1,1,2-triaminoguanidine
CID 175796352
5-(2-Amino-5-nitro-1,2,4-triazol-3-yl)-3-nitro-1,2,4-triazol-1-amine
CID 122383921
5-(5-Azido-1h-1,2,4-triazol-3-yl)tetrazol-1-ol
CID 136877105
1-amino-1'-hydroxy-5,5'-bis[3-nitro-1H-1,2,4-triazole]
CID 171979536

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium?
The IUPAC name of 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium (CID 139217309) is 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium.
What is the SMILES notation for 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium?
The canonical SMILES for 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium is Nn1c([O-])nnc1-c1nn[nH]n1.[NH3+]O.
What is the InChIKey of 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium?
The InChIKey is XNCHNGIGHAHJRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N8O.H4NO/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;1-2/h4H2,(H,8,12)(H,5,6,9,10);2H,1H3/q;+1/p-1.
What are the key properties of 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium?
4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium has a molecular weight of 201.15 g/mol, XLogP of -4.14, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium is sourced from PubChem (CID 139217309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).