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

C3H11N9O3 — CID 139217304

IUPACazanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate
SMILESNn1c([O-])nnc1-c1nn[nH]n1.O.O.[NH4+]
InChIInChI=1S/C3H4N8O.H3N.2H2O/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;;;/h4H2,(H,8,12)(H,5,6,9,10);1H3;2*1H2
InChIKeyAQKHBPGSFRQFMS-UHFFFAOYSA-N
MW221.18 g/mol
LogP-4.03
Rot. Bonds1

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

azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate (PubChem CID 139217304) has the molecular formula C3H11N9O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate.

Molecular Properties

Compound Nameazanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate
PubChem CID139217304
Molecular FormulaC3H11N9O3
Molecular Weight221.18 g/mol
Exact Mass221.10
IUPAC Nameazanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate
SMILESNn1c([O-])nnc1-c1nn[nH]n1.O.O.[NH4+]
InChIInChI=1S/C3H4N8O.H3N.2H2O/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;;;/h4H2,(H,8,12)(H,5,6,9,10);1H3;2*1H2
InChIKeyAQKHBPGSFRQFMS-UHFFFAOYSA-N
XLogP-4.03
TPSA233.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 5-4.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazole
CID 102444114
azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate
CID 139217308
4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;hydroxyazanium
CID 139217309
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-(4,5-Diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine;1,1,2-triaminoguanidine
CID 176074077
3-(4-Amino-5-hydrazinyl-1,2,4-triazol-3-yl)-5-hydrazinyl-1,2,4-triazol-4-amine
CID 168339472

Frequently Asked Questions

What is the IUPAC name of azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate?
The IUPAC name of azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate (CID 139217304) is azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate.
What is the SMILES notation for azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate?
The canonical SMILES for azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate is Nn1c([O-])nnc1-c1nn[nH]n1.O.O.[NH4+].
What is the InChIKey of azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate?
The InChIKey is AQKHBPGSFRQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N8O.H3N.2H2O/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;;;/h4H2,(H,8,12)(H,5,6,9,10);1H3;2*1H2.
What are the key properties of azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate?
azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate has a molecular weight of 221.18 g/mol, XLogP of -4.03, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate is sourced from PubChem (CID 139217304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).