1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine

C20H23F3N6O2 — CID 118954181

IUPAC1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESCC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(OCC2=NNNN2C(C)C)nc1
InChIInChI=1S/C20H23F3N6O2/c1-13(2)29-18(25-27-28-29)12-30-19-9-6-16(10-24-19)14(3)26-31-11-15-4-7-17(8-5-15)20(21,22)23/h4-10,13,27-28H,11-12H2,1-3H3
InChIKeyVGFZCIVOYLFQMK-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.47
Rot. Bonds8

About 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine

1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine (PubChem CID 118954181) has the molecular formula C20H23F3N6O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
PubChem CID118954181
Molecular FormulaC20H23F3N6O2
Molecular Weight436.44 g/mol
Exact Mass436.18
IUPAC Name1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESCC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(OCC2=NNNN2C(C)C)nc1
InChIInChI=1S/C20H23F3N6O2/c1-13(2)29-18(25-27-28-29)12-30-19-9-6-16(10-24-19)14(3)26-31-11-15-4-7-17(8-5-15)20(21,22)23/h4-10,13,27-28H,11-12H2,1-3H3
InChIKeyVGFZCIVOYLFQMK-UHFFFAOYSA-N
XLogP3.47
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[(3-fluorophenyl)methoxy]-N'-hydroxy-N-methylpyridine-3-carboximidamide
CID 56658608
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
CID 56668610
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
CID 56668760
2-(2-fluorophenoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
CID 56669023
2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
CID 56672720
N-hydroxy-N'-(1-methoxypropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 56675607
(NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
CID 56676231
N-hydroxy-N'-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 56679271
2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-(1-methoxypropan-2-yl)pyridine-3-carboximidamide
CID 56682110
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
CID 56683853
(Z)-N-methoxy-1-[4-(trifluoromethyl)phenyl]-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methanimine
CID 76326871
(Z)-N-methoxy-1-(4-methylphenyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methanimine
CID 76330534

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The IUPAC name of 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine (CID 118954181) is 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine.
What is the SMILES notation for 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The canonical SMILES for 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine is CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(OCC2=NNNN2C(C)C)nc1.
What is the InChIKey of 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The InChIKey is VGFZCIVOYLFQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O2/c1-13(2)29-18(25-27-28-29)12-30-19-9-6-16(10-24-19)14(3)26-31-11-15-4-7-17(8-5-15)20(21,22)23/h4-10,13,27-28H,11-12H2,1-3H3.
What are the key properties of 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine has a molecular weight of 436.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)methoxy]-3-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine is sourced from PubChem (CID 118954181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).