nitric acid;1,1,2-triaminoguanidine

CH9N7O3 — CID 87083065

IUPACnitric acid;1,1,2-triaminoguanidine
SMILESN/N=C(\N)N(N)N.O=[N+]([O-])O
InChIInChI=1S/CH8N6.HNO3/c2-1(6-3)7(4)5;2-1(3)4/h3-5H2,(H2,2,6);(H,2,3,4)
InChIKeyXLXWQTRKKYVWBJ-UHFFFAOYSA-N
MW167.13 g/mol
LogP-3.12
Rot. Bonds

About nitric acid;1,1,2-triaminoguanidine

nitric acid;1,1,2-triaminoguanidine (PubChem CID 87083065) has the molecular formula CH9N7O3 and a molecular weight of 167.13 g/mol. Its IUPAC name is nitric acid;1,1,2-triaminoguanidine.

Molecular Properties

Compound Namenitric acid;1,1,2-triaminoguanidine
PubChem CID87083065
Molecular FormulaCH9N7O3
Molecular Weight167.13 g/mol
Exact Mass167.08
IUPAC Namenitric acid;1,1,2-triaminoguanidine
SMILESN/N=C(\N)N(N)N.O=[N+]([O-])O
InChIInChI=1S/CH8N6.HNO3/c2-1(6-3)7(4)5;2-1(3)4/h3-5H2,(H2,2,6);(H,2,3,4)
InChIKeyXLXWQTRKKYVWBJ-UHFFFAOYSA-N
XLogP-3.12
TPSA183.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-3.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;1,1,2-triaminoguanidine
CID 175854701
1,1,2-triaminoguanidine;hydrochloride
CID 73462575
1,1,2-triaminoguanidine;2,4,6-trinitrophenol
CID 18779368
azane;tetrakis(nitric acid)
CID 173388272
azane;(nitric acid)
CID 173431766
azane;decakis(nitric acid)
CID 173055393
azane;guanidine;bis(nitric acid)
CID 174540476
bis(nitric acid);urea
CID 163580845
azane;bis(nitric acid);palladium
CID 6368740
iron;nitric acid;nonahydrate
CID 161165031
CID 173051744
CID 173051744
azane;nitric acid;hydrochloride
CID 173035617

Frequently Asked Questions

What is the IUPAC name of nitric acid;1,1,2-triaminoguanidine?
The IUPAC name of nitric acid;1,1,2-triaminoguanidine (CID 87083065) is nitric acid;1,1,2-triaminoguanidine.
What is the SMILES notation for nitric acid;1,1,2-triaminoguanidine?
The canonical SMILES for nitric acid;1,1,2-triaminoguanidine is N/N=C(\N)N(N)N.O=[N+]([O-])O.
What is the InChIKey of nitric acid;1,1,2-triaminoguanidine?
The InChIKey is XLXWQTRKKYVWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH8N6.HNO3/c2-1(6-3)7(4)5;2-1(3)4/h3-5H2,(H2,2,6);(H,2,3,4).
What are the key properties of nitric acid;1,1,2-triaminoguanidine?
nitric acid;1,1,2-triaminoguanidine has a molecular weight of 167.13 g/mol, XLogP of -3.12, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;1,1,2-triaminoguanidine is sourced from PubChem (CID 87083065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).