[amino(carbamimidoyloxy)methylidene]azanium nitrate

C2H7N5O4 — CID 90476435

IUPAC[amino(carbamimidoyloxy)methylidene]azanium nitrate
SMILESO=[N+]([O-])[O-].[H]/N=C(\N)OC(N)=[NH2+]
InChIInChI=1S/C2H6N4O.NO3/c3-1(4)7-2(5)6;2-1(3)4/h(H3,3,4)(H3,5,6);/q;-1/p+1
InChIKeyLGCIVDJIILNNKG-UHFFFAOYSA-O
MW165.11 g/mol
LogP-3.27
Rot. Bonds

About [amino(carbamimidoyloxy)methylidene]azanium nitrate

[amino(carbamimidoyloxy)methylidene]azanium nitrate (PubChem CID 90476435) has the molecular formula C2H7N5O4 and a molecular weight of 165.11 g/mol. Its IUPAC name is [amino(carbamimidoyloxy)methylidene]azanium nitrate.

Molecular Properties

Compound Name[amino(carbamimidoyloxy)methylidene]azanium nitrate
PubChem CID90476435
Molecular FormulaC2H7N5O4
Molecular Weight165.11 g/mol
Exact Mass165.05
IUPAC Name[amino(carbamimidoyloxy)methylidene]azanium nitrate
SMILESO=[N+]([O-])[O-].[H]/N=C(\N)OC(N)=[NH2+]
InChIInChI=1S/C2H6N4O.NO3/c3-1(4)7-2(5)6;2-1(3)4/h(H3,3,4)(H3,5,6);/q;-1/p+1
InChIKeyLGCIVDJIILNNKG-UHFFFAOYSA-O
XLogP-3.27
TPSA176.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 5-3.27
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'}

Analyze [amino(carbamimidoyloxy)methylidene]azanium nitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-nitro-N-oxido-N-oxomethanimidamide
CID 54476770
carbamimidoyl N-aminocarbamate
CID 174816859
bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate
CID 173210946
1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
CID 135467050
(Z)-4-carbamimidoyloxy-4-oxobut-2-enoic acid
CID 174781461
carbamimidoyl (1Z)-ethanehydrazonate
CID 67943615
azanium;urea;nitrate
CID 10130003
azanium;urea;nitrate
CID 172844548
amino nitrate;guanidine
CID 87093007
chloro carbamimidate
CID 19087492
3-imino-1-nitroprop-1-ene-1,2-diamine
CID 173484324
nitric acid;ruthenium;dinitrate
CID 173436166

Frequently Asked Questions

What is the IUPAC name of [amino(carbamimidoyloxy)methylidene]azanium nitrate?
The IUPAC name of [amino(carbamimidoyloxy)methylidene]azanium nitrate (CID 90476435) is [amino(carbamimidoyloxy)methylidene]azanium nitrate.
What is the SMILES notation for [amino(carbamimidoyloxy)methylidene]azanium nitrate?
The canonical SMILES for [amino(carbamimidoyloxy)methylidene]azanium nitrate is O=[N+]([O-])[O-].[H]/N=C(\N)OC(N)=[NH2+].
What is the InChIKey of [amino(carbamimidoyloxy)methylidene]azanium nitrate?
The InChIKey is LGCIVDJIILNNKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6N4O.NO3/c3-1(4)7-2(5)6;2-1(3)4/h(H3,3,4)(H3,5,6);/q;-1/p+1.
What are the key properties of [amino(carbamimidoyloxy)methylidene]azanium nitrate?
[amino(carbamimidoyloxy)methylidene]azanium nitrate has a molecular weight of 165.11 g/mol, XLogP of -3.27, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(carbamimidoyloxy)methylidene]azanium nitrate is sourced from PubChem (CID 90476435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).