[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine

C11H10ClF3N4 — CID 82196888

IUPAC[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine
SMILESCc1c(CN)nnn1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N4/c1-6-10(5-16)17-18-19(6)7-2-3-9(12)8(4-7)11(13,14)15/h2-4H,5,16H2,1H3
InChIKeyJXQUMTBTDWBHRA-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.71
Rot. Bonds2

About [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine

[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine (PubChem CID 82196888) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine
PubChem CID82196888
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine
SMILESCc1c(CN)nnn1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N4/c1-6-10(5-16)17-18-19(6)7-2-3-9(12)8(4-7)11(13,14)15/h2-4H,5,16H2,1H3
InChIKeyJXQUMTBTDWBHRA-UHFFFAOYSA-N
XLogP2.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 82094824
2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
CID 82227993
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]-N-ethylethanamine
CID 103084725
[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]methanamine
CID 82195240
4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline
CID 82195462
N-[[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62737745
[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
CID 82195423
3-[1-(3,4-dichlorophenyl)-5-methyltriazol-4-yl]propanoic acid
CID 82195620
1-[1-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]ethanamine
CID 64855886

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine?
The IUPAC name of [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine (CID 82196888) is [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine?
The canonical SMILES for [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine is Cc1c(CN)nnn1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine?
The InChIKey is JXQUMTBTDWBHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c1-6-10(5-16)17-18-19(6)7-2-3-9(12)8(4-7)11(13,14)15/h2-4H,5,16H2,1H3.
What are the key properties of [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine?
[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine has a molecular weight of 290.68 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 82196888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).