(N-ethanimidoyl-C-methylcarbonimidoyl)azanide

C4H8N3- — CID 102169739

IUPAC(N-ethanimidoyl-C-methylcarbonimidoyl)azanide
SMILES[H]/N=C(C)/N=C(\C)[NH-]
InChIInChI=1S/C4H8N3/c1-3(5)7-4(2)6/h1-2H3,(H2-,5,6,7)/q-1
InChIKeyMONUUBPSRIQUQI-UHFFFAOYSA-N
MW98.13 g/mol
LogP1.45
Rot. Bonds

About (N-ethanimidoyl-C-methylcarbonimidoyl)azanide

(N-ethanimidoyl-C-methylcarbonimidoyl)azanide (PubChem CID 102169739) has the molecular formula C4H8N3- and a molecular weight of 98.13 g/mol. Its IUPAC name is (N-ethanimidoyl-C-methylcarbonimidoyl)azanide.

Molecular Properties

Compound Name(N-ethanimidoyl-C-methylcarbonimidoyl)azanide
PubChem CID102169739
Molecular FormulaC4H8N3-
Molecular Weight98.13 g/mol
Exact Mass98.07
IUPAC Name(N-ethanimidoyl-C-methylcarbonimidoyl)azanide
SMILES[H]/N=C(C)/N=C(\C)[NH-]
InChIInChI=1S/C4H8N3/c1-3(5)7-4(2)6/h1-2H3,(H2-,5,6,7)/q-1
InChIKeyMONUUBPSRIQUQI-UHFFFAOYSA-N
XLogP1.45
TPSA60.01 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (N-ethanimidoyl-C-methylcarbonimidoyl)azanide?
The IUPAC name of (N-ethanimidoyl-C-methylcarbonimidoyl)azanide (CID 102169739) is (N-ethanimidoyl-C-methylcarbonimidoyl)azanide.
What is the SMILES notation for (N-ethanimidoyl-C-methylcarbonimidoyl)azanide?
The canonical SMILES for (N-ethanimidoyl-C-methylcarbonimidoyl)azanide is [H]/N=C(C)/N=C(\C)[NH-].
What is the InChIKey of (N-ethanimidoyl-C-methylcarbonimidoyl)azanide?
The InChIKey is MONUUBPSRIQUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N3/c1-3(5)7-4(2)6/h1-2H3,(H2-,5,6,7)/q-1.
What are the key properties of (N-ethanimidoyl-C-methylcarbonimidoyl)azanide?
(N-ethanimidoyl-C-methylcarbonimidoyl)azanide has a molecular weight of 98.13 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N-ethanimidoyl-C-methylcarbonimidoyl)azanide is sourced from PubChem (CID 102169739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).