1-nitro-2-nitrosoguanidine

CH3N5O3 — CID 57478244

IUPAC1-nitro-2-nitrosoguanidine
SMILESN/C(=N\N=O)N[N+](=O)[O-]
InChIInChI=1S/CH3N5O3/c2-1(3-5-7)4-6(8)9/h(H3,2,3,4,7)
InChIKeyFSRFQOAAESLDSG-UHFFFAOYSA-N
MW133.07 g/mol
LogP-1.24
Rot. Bonds2

About 1-nitro-2-nitrosoguanidine

1-nitro-2-nitrosoguanidine (PubChem CID 57478244) has the molecular formula CH3N5O3 and a molecular weight of 133.07 g/mol. Its IUPAC name is 1-nitro-2-nitrosoguanidine.

Molecular Properties

Compound Name1-nitro-2-nitrosoguanidine
PubChem CID57478244
Molecular FormulaCH3N5O3
Molecular Weight133.07 g/mol
Exact Mass133.02
IUPAC Name1-nitro-2-nitrosoguanidine
SMILESN/C(=N\N=O)N[N+](=O)[O-]
InChIInChI=1S/CH3N5O3/c2-1(3-5-7)4-6(8)9/h(H3,2,3,4,7)
InChIKeyFSRFQOAAESLDSG-UHFFFAOYSA-N
XLogP-1.24
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.07
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid
CID 15547784
1-nitro-2-(2,2,2-trinitroethyl)guanidine
CID 12938666
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
CID 141229523
2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-1-nitroguanidine
CID 4639026
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
CID 131842509
2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine
CID 135613058
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
2-(3-methylpent-2-enyl)-1-nitroguanidine
CID 73189286
2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide
CID 14179321
1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine
CID 14001038
1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
CID 135467050

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-nitrosoguanidine?
The IUPAC name of 1-nitro-2-nitrosoguanidine (CID 57478244) is 1-nitro-2-nitrosoguanidine.
What is the SMILES notation for 1-nitro-2-nitrosoguanidine?
The canonical SMILES for 1-nitro-2-nitrosoguanidine is N/C(=N\N=O)N[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-nitrosoguanidine?
The InChIKey is FSRFQOAAESLDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N5O3/c2-1(3-5-7)4-6(8)9/h(H3,2,3,4,7).
What are the key properties of 1-nitro-2-nitrosoguanidine?
1-nitro-2-nitrosoguanidine has a molecular weight of 133.07 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-nitrosoguanidine is sourced from PubChem (CID 57478244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).