N-cyclopropyl-6-iodopyridazin-3-amine

C7H8IN3 — CID 59277362

IUPACN-cyclopropyl-6-iodopyridazin-3-amine
SMILESIc1ccc(NC2CC2)nn1
InChIInChI=1S/C7H8IN3/c8-6-3-4-7(11-10-6)9-5-1-2-5/h3-5H,1-2H2,(H,9,11)
InChIKeyZBXMIOVHJVSJIW-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.66
Rot. Bonds2

About N-cyclopropyl-6-iodopyridazin-3-amine

N-cyclopropyl-6-iodopyridazin-3-amine (PubChem CID 59277362) has the molecular formula C7H8IN3 and a molecular weight of 261.07 g/mol. Its IUPAC name is N-cyclopropyl-6-iodopyridazin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-iodopyridazin-3-amine
PubChem CID59277362
Molecular FormulaC7H8IN3
Molecular Weight261.07 g/mol
Exact Mass260.98
IUPAC NameN-cyclopropyl-6-iodopyridazin-3-amine
SMILESIc1ccc(NC2CC2)nn1
InChIInChI=1S/C7H8IN3/c8-6-3-4-7(11-10-6)9-5-1-2-5/h3-5H,1-2H2,(H,9,11)
InChIKeyZBXMIOVHJVSJIW-UHFFFAOYSA-N
XLogP1.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-iodopyridazin-3-amine?
The IUPAC name of N-cyclopropyl-6-iodopyridazin-3-amine (CID 59277362) is N-cyclopropyl-6-iodopyridazin-3-amine.
What is the SMILES notation for N-cyclopropyl-6-iodopyridazin-3-amine?
The canonical SMILES for N-cyclopropyl-6-iodopyridazin-3-amine is Ic1ccc(NC2CC2)nn1.
What is the InChIKey of N-cyclopropyl-6-iodopyridazin-3-amine?
The InChIKey is ZBXMIOVHJVSJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3/c8-6-3-4-7(11-10-6)9-5-1-2-5/h3-5H,1-2H2,(H,9,11).
What are the key properties of N-cyclopropyl-6-iodopyridazin-3-amine?
N-cyclopropyl-6-iodopyridazin-3-amine has a molecular weight of 261.07 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-iodopyridazin-3-amine is sourced from PubChem (CID 59277362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).