N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine

C22H18F3N3O — CID 164537120

IUPACN-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine
SMILESCOc1cc(N=C(c2ccccc2)c2ccccc2)nnc1C1(C(F)(F)F)CC1
InChIInChI=1S/C22H18F3N3O/c1-29-17-14-18(27-28-20(17)21(12-13-21)22(23,24)25)26-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyFOHRTCVMNCKHOU-UHFFFAOYSA-N
MW397.40 g/mol
LogP5.25
Rot. Bonds5

About N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine

N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine (PubChem CID 164537120) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine
PubChem CID164537120
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC NameN-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine
SMILESCOc1cc(N=C(c2ccccc2)c2ccccc2)nnc1C1(C(F)(F)F)CC1
InChIInChI=1S/C22H18F3N3O/c1-29-17-14-18(27-28-20(17)21(12-13-21)22(23,24)25)26-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyFOHRTCVMNCKHOU-UHFFFAOYSA-N
XLogP5.25
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine
CID 155435961
1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene
CID 132533219
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 90020358
[[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite
CID 163252007
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
N-[[4-methoxy-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethylidene]hydroxylamine
CID 154244905
N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine
CID 171062917
N-(2-methoxyphenyl)-1-phenyl-1-thiophen-3-ylmethanimine
CID 90459317
[6-(benzhydrylideneamino)-3-(2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251900
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
[(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 5120394

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine (CID 164537120) is N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine is COc1cc(N=C(c2ccccc2)c2ccccc2)nnc1C1(C(F)(F)F)CC1.
What is the InChIKey of N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine?
The InChIKey is FOHRTCVMNCKHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O/c1-29-17-14-18(27-28-20(17)21(12-13-21)22(23,24)25)26-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3.
What are the key properties of N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine?
N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine has a molecular weight of 397.40 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 164537120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).