acetamide;guanidine;nitric acid

C3H11N5O4 — CID 173438373

IUPACacetamide;guanidine;nitric acid
SMILESCC(N)=O.O=[N+]([O-])O.[H]N=C(N)N
InChIInChI=1S/C2H5NO.CH5N3.HNO3/c1-2(3)4;2*2-1(3)4/h1H3,(H2,3,4);(H5,2,3,4);(H,2,3,4)
InChIKeyLOAQFLOAQDHNRL-UHFFFAOYSA-N
MW181.15 g/mol
LogP-2.02
Rot. Bonds

About acetamide;guanidine;nitric acid

acetamide;guanidine;nitric acid (PubChem CID 173438373) has the molecular formula C3H11N5O4 and a molecular weight of 181.15 g/mol. Its IUPAC name is acetamide;guanidine;nitric acid.

Molecular Properties

Compound Nameacetamide;guanidine;nitric acid
PubChem CID173438373
Molecular FormulaC3H11N5O4
Molecular Weight181.15 g/mol
Exact Mass181.08
IUPAC Nameacetamide;guanidine;nitric acid
SMILESCC(N)=O.O=[N+]([O-])O.[H]N=C(N)N
InChIInChI=1S/C2H5NO.CH5N3.HNO3/c1-2(3)4;2*2-1(3)4/h1H3,(H2,3,4);(H5,2,3,4);(H,2,3,4)
InChIKeyLOAQFLOAQDHNRL-UHFFFAOYSA-N
XLogP-2.02
TPSA182.35 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of acetamide;guanidine;nitric acid?
The IUPAC name of acetamide;guanidine;nitric acid (CID 173438373) is acetamide;guanidine;nitric acid.
What is the SMILES notation for acetamide;guanidine;nitric acid?
The canonical SMILES for acetamide;guanidine;nitric acid is CC(N)=O.O=[N+]([O-])O.[H]N=C(N)N.
What is the InChIKey of acetamide;guanidine;nitric acid?
The InChIKey is LOAQFLOAQDHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.CH5N3.HNO3/c1-2(3)4;2*2-1(3)4/h1H3,(H2,3,4);(H5,2,3,4);(H,2,3,4).
What are the key properties of acetamide;guanidine;nitric acid?
acetamide;guanidine;nitric acid has a molecular weight of 181.15 g/mol, XLogP of -2.02, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;guanidine;nitric acid is sourced from PubChem (CID 173438373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).