6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine

C15H16FN3O — CID 29140335

IUPAC6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NC[C@H]3CCCO3)nn2)cc1
InChIInChI=1S/C15H16FN3O/c16-12-5-3-11(4-6-12)14-7-8-15(19-18-14)17-10-13-2-1-9-20-13/h3-8,13H,1-2,9-10H2,(H,17,19)/t13-/m1/s1
InChIKeyKAPSIAJCVNIOMY-CYBMUJFWSA-N
MW273.31 g/mol
LogP2.87
Rot. Bonds4

About 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine

6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine (PubChem CID 29140335) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
PubChem CID29140335
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NC[C@H]3CCCO3)nn2)cc1
InChIInChI=1S/C15H16FN3O/c16-12-5-3-11(4-6-12)14-7-8-15(19-18-14)17-10-13-2-1-9-20-13/h3-8,13H,1-2,9-10H2,(H,17,19)/t13-/m1/s1
InChIKeyKAPSIAJCVNIOMY-CYBMUJFWSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29126982
6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine
CID 133353321
N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine
CID 133274088
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133399616
3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113039818
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133473519
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 100749423

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine (CID 29140335) is 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine is Fc1ccc(-c2ccc(NC[C@H]3CCCO3)nn2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine?
The InChIKey is KAPSIAJCVNIOMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-12-5-3-11(4-6-12)14-7-8-15(19-18-14)17-10-13-2-1-9-20-13/h3-8,13H,1-2,9-10H2,(H,17,19)/t13-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine?
6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine has a molecular weight of 273.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 29140335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).