(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

C17H14F2N4O2 — CID 9028029

IUPAC(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cc(/C=N\n2cnnc2-c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C17H14F2N4O2/c1-24-15-9-12(7-8-14(15)25-17(18)19)10-21-23-11-20-22-16(23)13-5-3-2-4-6-13/h2-11,17H,1H3/b21-10-
InChIKeyKRSBOBSFBYQXAL-FBHDLOMBSA-N
MW344.32 g/mol
LogP3.44
Rot. Bonds6

About (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 9028029) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
PubChem CID9028029
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cc(/C=N\n2cnnc2-c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C17H14F2N4O2/c1-24-15-9-12(7-8-14(15)25-17(18)19)10-21-23-11-20-22-16(23)13-5-3-2-4-6-13/h2-11,17H,1H3/b21-10-
InChIKeyKRSBOBSFBYQXAL-FBHDLOMBSA-N
XLogP3.44
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(3-ethoxy-4-methoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028006
(Z)-1-(4-methoxy-3-propoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028321
2,6-dimethoxy-4-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 135771186
(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9398219
(Z)-1-(3,4-difluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028340
(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027661
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098
1-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1,2,4-triazol-4-yl)methanimine
CID 873436
(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-methoxy-4-propan-2-yloxyphenyl)methanimine
CID 7574933
6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376478
4-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
CID 8860248
N-[3-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 150566362

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (CID 9028029) is (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is COc1cc(/C=N\n2cnnc2-c2ccccc2)ccc1OC(F)F.
What is the InChIKey of (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is KRSBOBSFBYQXAL-FBHDLOMBSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-24-15-9-12(7-8-14(15)25-17(18)19)10-21-23-11-20-22-16(23)13-5-3-2-4-6-13/h2-11,17H,1H3/b21-10-.
What are the key properties of (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 344.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9028029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).