1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline

C14H13F2N3O — CID 150571141

IUPAC1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)Oc1ccc(C2NCCc3ccccc32)nn1
InChIInChI=1S/C14H13F2N3O/c15-14(16)20-12-6-5-11(18-19-12)13-10-4-2-1-3-9(10)7-8-17-13/h1-6,13-14,17H,7-8H2
InChIKeyILWDPPKLPINARM-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.31
Rot. Bonds3

About 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline

1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 150571141) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID150571141
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)Oc1ccc(C2NCCc3ccccc32)nn1
InChIInChI=1S/C14H13F2N3O/c15-14(16)20-12-6-5-11(18-19-12)13-10-4-2-1-3-9(10)7-8-17-13/h1-6,13-14,17H,7-8H2
InChIKeyILWDPPKLPINARM-UHFFFAOYSA-N
XLogP2.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2,2,2-trifluoro-N-[(6-methoxypyridazin-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 124286603
3-Methoxy-6-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridazine
CID 58993563
(1R)-1-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-N-(pyridazin-3-ylmethyl)methanamine
CID 117689204
1-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-N-(pyridazin-3-ylmethyl)methanamine
CID 117689205
(1S)-1-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-N-(pyridazin-3-ylmethyl)methanamine
CID 117689215
3-(4,4-Difluoropiperidin-3-yl)-6-methoxypyridazine
CID 163238317
(2S,6S)-2-(6-methoxypyridazin-3-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826832
3-(4-Piperidin-4-ylphenoxy)-6-(trifluoromethyl)pyridazine
CID 176387281
N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
CID 62287900
N-[[6-[3-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
CID 62291319
N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
CID 62296891
N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine
CID 63935143

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline (CID 150571141) is 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline is FC(F)Oc1ccc(C2NCCc3ccccc32)nn1.
What is the InChIKey of 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ILWDPPKLPINARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-14(16)20-12-6-5-11(18-19-12)13-10-4-2-1-3-9(10)7-8-17-13/h1-6,13-14,17H,7-8H2.
What are the key properties of 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 277.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 150571141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).