3-(6-chloropyridazin-3-yl)oxypropan-1-amine

C7H10ClN3O — CID 23313459

IUPAC3-(6-chloropyridazin-3-yl)oxypropan-1-amine
SMILESNCCCOc1ccc(Cl)nn1
InChIInChI=1S/C7H10ClN3O/c8-6-2-3-7(11-10-6)12-5-1-4-9/h2-3H,1,4-5,9H2
InChIKeyBWTHGVHMUKXGPN-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.86
Rot. Bonds4

About 3-(6-chloropyridazin-3-yl)oxypropan-1-amine

3-(6-chloropyridazin-3-yl)oxypropan-1-amine (PubChem CID 23313459) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)oxypropan-1-amine
PubChem CID23313459
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name3-(6-chloropyridazin-3-yl)oxypropan-1-amine
SMILESNCCCOc1ccc(Cl)nn1
InChIInChI=1S/C7H10ClN3O/c8-6-2-3-7(11-10-6)12-5-1-4-9/h2-3H,1,4-5,9H2
InChIKeyBWTHGVHMUKXGPN-UHFFFAOYSA-N
XLogP0.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-(2-cyclopropylethoxy)pyridazine
CID 58075185
2-(6-methylpyridazin-3-yl)oxyethanamine
CID 62347567
N-[2-(6-chloropyridazin-3-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115505459
3-chloro-6-[2-(2-methylpropoxy)ethoxy]pyridazine
CID 106447482
1-(6-chloropyridazin-3-yl)oxypropan-2-amine
CID 23313311
2-(6-phenylpyridazin-3-yl)oxyethanamine
CID 52903526
(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine
CID 11820842
3-chloro-6-(4-propoxyphenoxy)pyridazine
CID 60674904
7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
CID 102386626
2-[(6-chloro-2-pyridinyl)oxy]ethanamine
CID 89179047
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-chloro-6-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]pyridazine
CID 10018060

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridazin-3-yl)oxypropan-1-amine?
The IUPAC name of 3-(6-chloropyridazin-3-yl)oxypropan-1-amine (CID 23313459) is 3-(6-chloropyridazin-3-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)oxypropan-1-amine?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)oxypropan-1-amine is NCCCOc1ccc(Cl)nn1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)oxypropan-1-amine?
The InChIKey is BWTHGVHMUKXGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-6-2-3-7(11-10-6)12-5-1-4-9/h2-3H,1,4-5,9H2.
What are the key properties of 3-(6-chloropyridazin-3-yl)oxypropan-1-amine?
3-(6-chloropyridazin-3-yl)oxypropan-1-amine has a molecular weight of 187.63 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)oxypropan-1-amine is sourced from PubChem (CID 23313459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).