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

C3H7N9O — CID 139217308

IUPACazanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate
SMILESNn1c([O-])nnc1-c1nn[nH]n1.[NH4+]
InChIInChI=1S/C3H4N8O.H3N/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;/h4H2,(H,8,12)(H,5,6,9,10);1H3
InChIKeyVHOJXQKJICWDCD-UHFFFAOYSA-N
MW185.15 g/mol
LogP-2.38
Rot. Bonds1

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

azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate (PubChem CID 139217308) has the molecular formula C3H7N9O and a molecular weight of 185.15 g/mol. Its IUPAC name is azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate.

Molecular Properties

Compound Nameazanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate
PubChem CID139217308
Molecular FormulaC3H7N9O
Molecular Weight185.15 g/mol
Exact Mass185.08
IUPAC Nameazanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate
SMILESNn1c([O-])nnc1-c1nn[nH]n1.[NH4+]
InChIInChI=1S/C3H4N8O.H3N/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;/h4H2,(H,8,12)(H,5,6,9,10);1H3
InChIKeyVHOJXQKJICWDCD-UHFFFAOYSA-N
XLogP-2.38
TPSA170.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5,5'-Diamino-3,3'-bis-1,2,4-triazole
CID 573397
4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazole
CID 102444114
5-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 102443089
5-(5-azido-1H-1,2,4-triazol-3-yl)-2H-tetrazole
CID 136726291
azanium;4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate;dihydrate
CID 139217304
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
3,5-bis(2H-tetrazol-5-yl)-1,2,4-triazol-4-amine
CID 307909
5-(4,5-Diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine;1,1,2-triaminoguanidine
CID 176074077
5-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,4-triazole-3,4-diamine
CID 80491329
Dipotassium;5-(5-amino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine
CID 90480886
5-(3,4-diamino-1H-1,2,4-triazol-4-ium-5-yl)-1H-1,2,4-triazol-4-ium-3,4-diamine
CID 101908954

Frequently Asked Questions

What is the IUPAC name of azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate?
The IUPAC name of azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate (CID 139217308) is azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate.
What is the SMILES notation for azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate?
The canonical SMILES for azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate is Nn1c([O-])nnc1-c1nn[nH]n1.[NH4+].
What is the InChIKey of azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate?
The InChIKey is VHOJXQKJICWDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N8O.H3N/c4-11-2(7-8-3(11)12)1-5-9-10-6-1;/h4H2,(H,8,12)(H,5,6,9,10);1H3.
What are the key properties of azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate?
azanium 4-amino-5-(2H-tetrazol-5-yl)-1,2,4-triazol-3-olate has a molecular weight of 185.15 g/mol, XLogP of -2.38, 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 is sourced from PubChem (CID 139217308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).