N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine

C8H13IN4 — CID 59276943

IUPACN'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1ccc(I)nn1
InChIInChI=1S/C8H13IN4/c1-10-5-2-6-11-8-4-3-7(9)12-13-8/h3-4,10H,2,5-6H2,1H3,(H,11,13)
InChIKeyLXPWJCIDRGVJHW-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.10
Rot. Bonds5

About N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine

N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine (PubChem CID 59276943) has the molecular formula C8H13IN4 and a molecular weight of 292.12 g/mol. Its IUPAC name is N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine
PubChem CID59276943
Molecular FormulaC8H13IN4
Molecular Weight292.12 g/mol
Exact Mass292.02
IUPAC NameN'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1ccc(I)nn1
InChIInChI=1S/C8H13IN4/c1-10-5-2-6-11-8-4-3-7(9)12-13-8/h3-4,10H,2,5-6H2,1H3,(H,11,13)
InChIKeyLXPWJCIDRGVJHW-UHFFFAOYSA-N
XLogP1.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine (CID 59276943) is N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine is CNCCCNc1ccc(I)nn1.
What is the InChIKey of N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine?
The InChIKey is LXPWJCIDRGVJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4/c1-10-5-2-6-11-8-4-3-7(9)12-13-8/h3-4,10H,2,5-6H2,1H3,(H,11,13).
What are the key properties of N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine?
N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine has a molecular weight of 292.12 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 59276943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).