N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine

C11H16ClN3 — CID 104513514

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1ccc(Cl)nn1)C1CC1
InChIInChI=1S/C11H16ClN3/c1-2-7-15(10-4-5-10)8-9-3-6-11(12)14-13-9/h3,6,10H,2,4-5,7-8H2,1H3
InChIKeyUOOCCVMXYJSFAQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.50
Rot. Bonds5

About N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine

N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine (PubChem CID 104513514) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine
PubChem CID104513514
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1ccc(Cl)nn1)C1CC1
InChIInChI=1S/C11H16ClN3/c1-2-7-15(10-4-5-10)8-9-3-6-11(12)14-13-9/h3,6,10H,2,4-5,7-8H2,1H3
InChIKeyUOOCCVMXYJSFAQ-UHFFFAOYSA-N
XLogP2.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine (CID 104513514) is N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine is CCCN(Cc1ccc(Cl)nn1)C1CC1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine?
The InChIKey is UOOCCVMXYJSFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-2-7-15(10-4-5-10)8-9-3-6-11(12)14-13-9/h3,6,10H,2,4-5,7-8H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine?
N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine has a molecular weight of 225.72 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 104513514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).