1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C15H15F3N6O2 — CID 47060282

IUPAC1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCN(CC(O)COc1ccc(C(F)(F)F)cc1)c1ccc2nnnn2n1
InChIInChI=1S/C15H15F3N6O2/c1-23(14-7-6-13-19-21-22-24(13)20-14)8-11(25)9-26-12-4-2-10(3-5-12)15(16,17)18/h2-7,11,25H,8-9H2,1H3
InChIKeyMUGQXZBCSDLFAD-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.41
Rot. Bonds6

About 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 47060282) has the molecular formula C15H15F3N6O2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID47060282
Molecular FormulaC15H15F3N6O2
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCN(CC(O)COc1ccc(C(F)(F)F)cc1)c1ccc2nnnn2n1
InChIInChI=1S/C15H15F3N6O2/c1-23(14-7-6-13-19-21-22-24(13)20-14)8-11(25)9-26-12-4-2-10(3-5-12)15(16,17)18/h2-7,11,25H,8-9H2,1H3
InChIKeyMUGQXZBCSDLFAD-UHFFFAOYSA-N
XLogP1.41
TPSA88.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methyl-4-(methylamino)butanamide
CID 119740676
(2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 97213727
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119740691
1-(N-methyl-2,4-dinitroanilino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 60524049
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
1-(4-tert-butylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936164

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 47060282) is 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is CN(CC(O)COc1ccc(C(F)(F)F)cc1)c1ccc2nnnn2n1.
What is the InChIKey of 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is MUGQXZBCSDLFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2/c1-23(14-7-6-13-19-21-22-24(13)20-14)8-11(25)9-26-12-4-2-10(3-5-12)15(16,17)18/h2-7,11,25H,8-9H2,1H3.
What are the key properties of 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 368.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 47060282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).