1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine

CH4N4O2 — CID 135467050

IUPAC1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
SMILES[H]/N=C(\N)N[15N+](=O)[O-]
InChIInChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)/i5+1
InChIKeyIDCPFAYURAQKDZ-HOSYLAQJSA-N
MW105.06 g/mol
LogP-1.34
Rot. Bonds1

About 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine

1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine (PubChem CID 135467050) has the molecular formula CH4N4O2 and a molecular weight of 105.06 g/mol. Its IUPAC name is 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine.

Molecular Properties

Compound Name1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
PubChem CID135467050
Molecular FormulaCH4N4O2
Molecular Weight105.06 g/mol
Exact Mass105.03
IUPAC Name1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
SMILES[H]/N=C(\N)N[15N+](=O)[O-]
InChIInChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)/i5+1
InChIKeyIDCPFAYURAQKDZ-HOSYLAQJSA-N
XLogP-1.34
TPSA105.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.06
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acridine;1-nitroguanidine
CID 174339962
methyl N-nitrocarbamimidothioate
CID 135927615
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
1-nitro-N-oxido-N-oxomethanimidamide
CID 54476770
1-carbamimidoylguanidine;oxovanadium(2+)
CID 176523770
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
azane;hydroxylamine;N-hydroxynitramide
CID 173388904
1-carbamimidoylguanidine;methane
CID 176544517
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
1-carbamimidamidoguanidine;hydrobromide
CID 176518952
1,3-dinitrourea
CID 10866514
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766

Frequently Asked Questions

What is the IUPAC name of 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine?
The IUPAC name of 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine (CID 135467050) is 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine.
What is the SMILES notation for 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine?
The canonical SMILES for 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine is [H]/N=C(\N)N[15N+](=O)[O-].
What is the InChIKey of 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine?
The InChIKey is IDCPFAYURAQKDZ-HOSYLAQJSA-N. The full InChI is InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)/i5+1.
What are the key properties of 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine?
1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine has a molecular weight of 105.06 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine is sourced from PubChem (CID 135467050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).