3-methyliodanuidyldiaziridin-3-amine

C2H7IN3- — CID 147597315

IUPAC3-methyliodanuidyldiaziridin-3-amine
SMILESC[I-]C1(N)NN1
InChIInChI=1S/C2H7IN3/c1-3-2(4)5-6-2/h5-6H,4H2,1H3/q-1
InChIKeyGHFFZLWQZVHECQ-UHFFFAOYSA-N
MW200.00 g/mol
LogP-4.62
Rot. Bonds1

About 3-methyliodanuidyldiaziridin-3-amine

3-methyliodanuidyldiaziridin-3-amine (PubChem CID 147597315) has the molecular formula C2H7IN3- and a molecular weight of 200.00 g/mol. Its IUPAC name is 3-methyliodanuidyldiaziridin-3-amine.

Molecular Properties

Compound Name3-methyliodanuidyldiaziridin-3-amine
PubChem CID147597315
Molecular FormulaC2H7IN3-
Molecular Weight200.00 g/mol
Exact Mass199.97
IUPAC Name3-methyliodanuidyldiaziridin-3-amine
SMILESC[I-]C1(N)NN1
InChIInChI=1S/C2H7IN3/c1-3-2(4)5-6-2/h5-6H,4H2,1H3/q-1
InChIKeyGHFFZLWQZVHECQ-UHFFFAOYSA-N
XLogP-4.62
TPSA69.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.00
LogP ≤ 5-4.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyliodanuidyldiaziridin-3-amine?
The IUPAC name of 3-methyliodanuidyldiaziridin-3-amine (CID 147597315) is 3-methyliodanuidyldiaziridin-3-amine.
What is the SMILES notation for 3-methyliodanuidyldiaziridin-3-amine?
The canonical SMILES for 3-methyliodanuidyldiaziridin-3-amine is C[I-]C1(N)NN1.
What is the InChIKey of 3-methyliodanuidyldiaziridin-3-amine?
The InChIKey is GHFFZLWQZVHECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7IN3/c1-3-2(4)5-6-2/h5-6H,4H2,1H3/q-1.
What are the key properties of 3-methyliodanuidyldiaziridin-3-amine?
3-methyliodanuidyldiaziridin-3-amine has a molecular weight of 200.00 g/mol, XLogP of -4.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliodanuidyldiaziridin-3-amine is sourced from PubChem (CID 147597315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).