2-aminoguanidine;5-nitro-1,2,4-triazol-3-one

C3H6N8O3 — CID 67856111

IUPAC2-aminoguanidine;5-nitro-1,2,4-triazol-3-one
SMILESNN=C(N)N.O=C1N=NC([N+](=O)[O-])=N1
InChIInChI=1S/C2N4O3.CH6N4/c7-2-3-1(4-5-2)6(8)9;2-1(3)5-4/h;4H2,(H4,2,3,5)
InChIKeyWXOFLAIAVNXHNM-UHFFFAOYSA-N
MW202.13 g/mol
LogP-1.66
Rot. Bonds

About 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one

2-aminoguanidine;5-nitro-1,2,4-triazol-3-one (PubChem CID 67856111) has the molecular formula C3H6N8O3 and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-aminoguanidine;5-nitro-1,2,4-triazol-3-one
PubChem CID67856111
Molecular FormulaC3H6N8O3
Molecular Weight202.13 g/mol
Exact Mass202.06
IUPAC Name2-aminoguanidine;5-nitro-1,2,4-triazol-3-one
SMILESNN=C(N)N.O=C1N=NC([N+](=O)[O-])=N1
InChIInChI=1S/C2N4O3.CH6N4/c7-2-3-1(4-5-2)6(8)9;2-1(3)5-4/h;4H2,(H4,2,3,5)
InChIKeyWXOFLAIAVNXHNM-UHFFFAOYSA-N
XLogP-1.66
TPSA187.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one?
The IUPAC name of 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one (CID 67856111) is 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one.
What is the SMILES notation for 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one?
The canonical SMILES for 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one is NN=C(N)N.O=C1N=NC([N+](=O)[O-])=N1.
What is the InChIKey of 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one?
The InChIKey is WXOFLAIAVNXHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N4O3.CH6N4/c7-2-3-1(4-5-2)6(8)9;2-1(3)5-4/h;4H2,(H4,2,3,5).
What are the key properties of 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one?
2-aminoguanidine;5-nitro-1,2,4-triazol-3-one has a molecular weight of 202.13 g/mol, XLogP of -1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoguanidine;5-nitro-1,2,4-triazol-3-one is sourced from PubChem (CID 67856111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).