N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine

C18H20FN3O — CID 133473519

IUPACN-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NC3CCOC(C4CC4)C3)nn2)cc1
InChIInChI=1S/C18H20FN3O/c19-14-5-3-12(4-6-14)16-7-8-18(22-21-16)20-15-9-10-23-17(11-15)13-1-2-13/h3-8,13,15,17H,1-2,9-11H2,(H,20,22)
InChIKeySOXFYULGGYHMNI-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.65
Rot. Bonds4

About N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine

N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine (PubChem CID 133473519) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
PubChem CID133473519
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NC3CCOC(C4CC4)C3)nn2)cc1
InChIInChI=1S/C18H20FN3O/c19-14-5-3-12(4-6-14)16-7-8-18(22-21-16)20-15-9-10-23-17(11-15)13-1-2-13/h3-8,13,15,17H,1-2,9-11H2,(H,20,22)
InChIKeySOXFYULGGYHMNI-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-cyclopropyloxan-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 133473132
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
N-(2-cyclopropyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 127878750
6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine
CID 133353321
6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29140335
N-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667
N-(1-cyclopentylpyrrolidin-3-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133292234
1-cyclopropyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133357482
N-(2-cyclopropyloxan-4-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 127878745
6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133473678
1-tert-butyl-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133342190
N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine
CID 133473493

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine (CID 133473519) is N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine is Fc1ccc(-c2ccc(NC3CCOC(C4CC4)C3)nn2)cc1.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine?
The InChIKey is SOXFYULGGYHMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-14-5-3-12(4-6-14)16-7-8-18(22-21-16)20-15-9-10-23-17(11-15)13-1-2-13/h3-8,13,15,17H,1-2,9-11H2,(H,20,22).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine?
N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine has a molecular weight of 313.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine is sourced from PubChem (CID 133473519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).