1-methyl-5-methyliodanuidyltetrazole

C3H6IN4- — CID 163578152

IUPAC1-methyl-5-methyliodanuidyltetrazole
SMILESC[I-]c1nnnn1C
InChIInChI=1S/C3H6IN4/c1-4-3-5-6-7-8(3)2/h1-2H3/q-1
InChIKeyMRNZYNDTZZDATK-UHFFFAOYSA-N
MW225.01 g/mol
LogP-3.90
Rot. Bonds1

About 1-methyl-5-methyliodanuidyltetrazole

1-methyl-5-methyliodanuidyltetrazole (PubChem CID 163578152) has the molecular formula C3H6IN4- and a molecular weight of 225.01 g/mol. Its IUPAC name is 1-methyl-5-methyliodanuidyltetrazole.

Molecular Properties

Compound Name1-methyl-5-methyliodanuidyltetrazole
PubChem CID163578152
Molecular FormulaC3H6IN4-
Molecular Weight225.01 g/mol
Exact Mass224.96
IUPAC Name1-methyl-5-methyliodanuidyltetrazole
SMILESC[I-]c1nnnn1C
InChIInChI=1S/C3H6IN4/c1-4-3-5-6-7-8(3)2/h1-2H3/q-1
InChIKeyMRNZYNDTZZDATK-UHFFFAOYSA-N
XLogP-3.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.01
LogP ≤ 5-3.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methyliodanuidyltetrazole?
The IUPAC name of 1-methyl-5-methyliodanuidyltetrazole (CID 163578152) is 1-methyl-5-methyliodanuidyltetrazole.
What is the SMILES notation for 1-methyl-5-methyliodanuidyltetrazole?
The canonical SMILES for 1-methyl-5-methyliodanuidyltetrazole is C[I-]c1nnnn1C.
What is the InChIKey of 1-methyl-5-methyliodanuidyltetrazole?
The InChIKey is MRNZYNDTZZDATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6IN4/c1-4-3-5-6-7-8(3)2/h1-2H3/q-1.
What are the key properties of 1-methyl-5-methyliodanuidyltetrazole?
1-methyl-5-methyliodanuidyltetrazole has a molecular weight of 225.01 g/mol, XLogP of -3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methyliodanuidyltetrazole is sourced from PubChem (CID 163578152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).