amino nitrate;guanidine

CH7N5O3 — CID 87093007

IUPACamino nitrate;guanidine
SMILESNO[N+](=O)[O-].[H]N=C(N)N
InChIInChI=1S/CH5N3.H2N2O3/c2-1(3)4;1-5-2(3)4/h(H5,2,3,4);1H2
InChIKeyDZOXRDSLSQVVJL-UHFFFAOYSA-N
MW137.10 g/mol
LogP-2.09
Rot. Bonds1

About amino nitrate;guanidine

amino nitrate;guanidine (PubChem CID 87093007) has the molecular formula CH7N5O3 and a molecular weight of 137.10 g/mol. Its IUPAC name is amino nitrate;guanidine.

Molecular Properties

Compound Nameamino nitrate;guanidine
PubChem CID87093007
Molecular FormulaCH7N5O3
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC Nameamino nitrate;guanidine
SMILESNO[N+](=O)[O-].[H]N=C(N)N
InChIInChI=1S/CH5N3.H2N2O3/c2-1(3)4;1-5-2(3)4/h(H5,2,3,4);1H2
InChIKeyDZOXRDSLSQVVJL-UHFFFAOYSA-N
XLogP-2.09
TPSA154.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

amino nitrate;mercury
CID 174849220
amino nitrate;platinum
CID 174487148
azane;guanidine;bis(nitric acid)
CID 174540476
acetamide;guanidine;nitric acid
CID 173438373
CID 173301783
CID 173301783
ethane-1,2-diamine dinitrate
CID 3015097
diamino carbonate;guanidine
CID 87141757
guanidine;1-nitropyrrole
CID 70523594
nitro 2-aminoacetate;ruthenium
CID 175369443
1-(2-aminoethyl)-1-nitrourea
CID 141425314
2-aminoethanol;bis(nitric acid)
CID 22257240
silver;2-aminoethanol;nitrate
CID 86737465

Frequently Asked Questions

What is the IUPAC name of amino nitrate;guanidine?
The IUPAC name of amino nitrate;guanidine (CID 87093007) is amino nitrate;guanidine.
What is the SMILES notation for amino nitrate;guanidine?
The canonical SMILES for amino nitrate;guanidine is NO[N+](=O)[O-].[H]N=C(N)N.
What is the InChIKey of amino nitrate;guanidine?
The InChIKey is DZOXRDSLSQVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.H2N2O3/c2-1(3)4;1-5-2(3)4/h(H5,2,3,4);1H2.
What are the key properties of amino nitrate;guanidine?
amino nitrate;guanidine has a molecular weight of 137.10 g/mol, XLogP of -2.09, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino nitrate;guanidine is sourced from PubChem (CID 87093007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).