methylcarbamoylimino-(oxohydrazinylidene)azanium

C2H4N5O2+ — CID 56986517

IUPACmethylcarbamoylimino-(oxohydrazinylidene)azanium
SMILESCNC(=O)N=[N+]=NN=O
InChIInChI=1S/C2H3N5O2/c1-3-2(8)4-5-6-7-9/h1H3/p+1
InChIKeyVJVBRRBMXORGJK-UHFFFAOYSA-O
MW130.09 g/mol
LogP-0.02
Rot. Bonds1

About methylcarbamoylimino-(oxohydrazinylidene)azanium

methylcarbamoylimino-(oxohydrazinylidene)azanium (PubChem CID 56986517) has the molecular formula C2H4N5O2+ and a molecular weight of 130.09 g/mol. Its IUPAC name is methylcarbamoylimino-(oxohydrazinylidene)azanium.

Molecular Properties

Compound Namemethylcarbamoylimino-(oxohydrazinylidene)azanium
PubChem CID56986517
Molecular FormulaC2H4N5O2+
Molecular Weight130.09 g/mol
Exact Mass130.04
IUPAC Namemethylcarbamoylimino-(oxohydrazinylidene)azanium
SMILESCNC(=O)N=[N+]=NN=O
InChIInChI=1S/C2H3N5O2/c1-3-2(8)4-5-6-7-9/h1H3/p+1
InChIKeyVJVBRRBMXORGJK-UHFFFAOYSA-O
XLogP-0.02
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.09
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylcarbamoylimino-(oxohydrazinylidene)azanium?
The IUPAC name of methylcarbamoylimino-(oxohydrazinylidene)azanium (CID 56986517) is methylcarbamoylimino-(oxohydrazinylidene)azanium.
What is the SMILES notation for methylcarbamoylimino-(oxohydrazinylidene)azanium?
The canonical SMILES for methylcarbamoylimino-(oxohydrazinylidene)azanium is CNC(=O)N=[N+]=NN=O.
What is the InChIKey of methylcarbamoylimino-(oxohydrazinylidene)azanium?
The InChIKey is VJVBRRBMXORGJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3N5O2/c1-3-2(8)4-5-6-7-9/h1H3/p+1.
What are the key properties of methylcarbamoylimino-(oxohydrazinylidene)azanium?
methylcarbamoylimino-(oxohydrazinylidene)azanium has a molecular weight of 130.09 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamoylimino-(oxohydrazinylidene)azanium is sourced from PubChem (CID 56986517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).