N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine

C17H20FN3O — CID 133274088

IUPACN-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine
SMILESCCN(CC1CCCO1)c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C17H20FN3O/c1-2-21(12-15-4-3-11-22-15)17-10-9-16(19-20-17)13-5-7-14(18)8-6-13/h5-10,15H,2-4,11-12H2,1H3
InChIKeyCVEIISMKUZKNPO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.29
Rot. Bonds5

About N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine

N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine (PubChem CID 133274088) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine
PubChem CID133274088
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine
SMILESCCN(CC1CCCO1)c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C17H20FN3O/c1-2-21(12-15-4-3-11-22-15)17-10-9-16(19-20-17)13-5-7-14(18)8-6-13/h5-10,15H,2-4,11-12H2,1H3
InChIKeyCVEIISMKUZKNPO-UHFFFAOYSA-N
XLogP3.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29140335
[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61435500
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 61433721
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
5-[(cyclopropylamino)methyl]-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62283732
4-[6-(diethylamino)pyridazin-3-yl]benzonitrile
CID 71528505
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-N-(oxolan-2-ylmethyl)formamide
CID 87827336
4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline
CID 107932790
4-[ethyl(oxolan-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286006
4-fluoro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93156582
4-fluoro-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46147421

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine (CID 133274088) is N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine is CCN(CC1CCCO1)c1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine?
The InChIKey is CVEIISMKUZKNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-2-21(12-15-4-3-11-22-15)17-10-9-16(19-20-17)13-5-7-14(18)8-6-13/h5-10,15H,2-4,11-12H2,1H3.
What are the key properties of N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine?
N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine has a molecular weight of 301.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 133274088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).