(4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone

C18H14F3N3O3 — CID 1489081

IUPAC(4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)c2C)cc1
InChIInChI=1S/C18H14F3N3O3/c1-11-16(17(25)12-3-7-14(26-2)8-4-12)22-23-24(11)13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,1-2H3
InChIKeyZMQWEVLSYRPEOG-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.71
Rot. Bonds5

About (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone

(4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone (PubChem CID 1489081) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone
PubChem CID1489081
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name(4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)c2C)cc1
InChIInChI=1S/C18H14F3N3O3/c1-11-16(17(25)12-3-7-14(26-2)8-4-12)22-23-24(11)13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,1-2H3
InChIKeyZMQWEVLSYRPEOG-UHFFFAOYSA-N
XLogP3.71
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[2-(dimethylamino)ethenyl]-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]-(4-methoxyphenyl)methanone
CID 1480016
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
[3-(trifluoromethyl)phenyl]methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 50763843
5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]triazole
CID 4680396
(3S,4S)-1-[1-(4-methoxyphenyl)-5-methyltriazole-4-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950180
1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide
CID 16649276
(E)-1-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-3-phenylprop-2-en-1-one
CID 46198197
(2-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 42585439
N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
CID 169248286
4-(4-acetyl-5-methyltriazol-1-yl)benzoic acid
CID 82201518
(3-methylphenyl)methyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 42585435

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone (CID 1489081) is (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone is COc1ccc(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)c2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone?
The InChIKey is ZMQWEVLSYRPEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-11-16(17(25)12-3-7-14(26-2)8-4-12)22-23-24(11)13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone?
(4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone has a molecular weight of 377.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[5-methyl-1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanone is sourced from PubChem (CID 1489081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).