6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine

C16H15ClF3N3O — CID 164987428

IUPAC6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1cc(NC[C@H]2CCCO2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF3N3O/c17-11-5-3-10(4-6-11)15-13(16(18,19)20)8-14(22-23-15)21-9-12-2-1-7-24-12/h3-6,8,12H,1-2,7,9H2,(H,21,22)/t12-/m1/s1
InChIKeyGJALAEWBFVCQFE-GFCCVEGCSA-N
MW357.76 g/mol
LogP4.41
Rot. Bonds4

About 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine

6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine (PubChem CID 164987428) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine
PubChem CID164987428
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1cc(NC[C@H]2CCCO2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF3N3O/c17-11-5-3-10(4-6-11)15-13(16(18,19)20)8-14(22-23-15)21-9-12-2-1-7-24-12/h3-6,8,12H,1-2,7,9H2,(H,21,22)/t12-/m1/s1
InChIKeyGJALAEWBFVCQFE-GFCCVEGCSA-N
XLogP4.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 43082564
4-fluoro-N-(oxan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 61229201
6-chloro-2-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
CID 1144698
6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29140335
3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113039818
4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115523
5-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944687
6-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112857312
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29126982
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51389949
2-(4-chlorophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 2920810

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine (CID 164987428) is 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1cc(NC[C@H]2CCCO2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is GJALAEWBFVCQFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c17-11-5-3-10(4-6-11)15-13(16(18,19)20)8-14(22-23-15)21-9-12-2-1-7-24-12/h3-6,8,12H,1-2,7,9H2,(H,21,22)/t12-/m1/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine?
6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 357.76 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 164987428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).