5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine

C15H10ClF3N4O — CID 15998416

IUPAC5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine
SMILESNc1c(-c2ccc(Cl)cc2)nnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3N4O/c16-10-3-1-9(2-4-10)13-14(20)23(22-21-13)11-5-7-12(8-6-11)24-15(17,18)19/h1-8H,20H2
InChIKeyJZFAODWWZLFSLX-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.07
Rot. Bonds3

About 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine

5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine (PubChem CID 15998416) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine
PubChem CID15998416
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine
SMILESNc1c(-c2ccc(Cl)cc2)nnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3N4O/c16-10-3-1-9(2-4-10)13-14(20)23(22-21-13)11-5-7-12(8-6-11)24-15(17,18)19/h1-8H,20H2
InChIKeyJZFAODWWZLFSLX-UHFFFAOYSA-N
XLogP4.07
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethoxy)phenyl]triazol-4-amine
CID 25215908
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104
3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
CID 58186760
5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
CID 82370705
3-[2-chloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)triazol-4-amine
CID 25154238
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 26650744
methyl 3-(4-chlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxylate
CID 175820685
3-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 15275541

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine (CID 15998416) is 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine is Nc1c(-c2ccc(Cl)cc2)nnn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine?
The InChIKey is JZFAODWWZLFSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c16-10-3-1-9(2-4-10)13-14(20)23(22-21-13)11-5-7-12(8-6-11)24-15(17,18)19/h1-8H,20H2.
What are the key properties of 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine?
5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine has a molecular weight of 354.72 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine is sourced from PubChem (CID 15998416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).