N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine

C12H13F3N4 — CID 122441038

IUPACN,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
SMILESCN(C)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C12H13F3N4/c1-18(2)11-8-19(17-16-11)7-9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,7H2,1-2H3
InChIKeyUKYFKBXNUAVYHH-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.41
Rot. Bonds3

About N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine

N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine (PubChem CID 122441038) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
PubChem CID122441038
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
SMILESCN(C)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C12H13F3N4/c1-18(2)11-8-19(17-16-11)7-9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,7H2,1-2H3
InChIKeyUKYFKBXNUAVYHH-UHFFFAOYSA-N
XLogP2.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683678
N-[2-(azepan-1-yl)ethyl]-1-benzyltriazol-4-amine
CID 76683883
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 118565438
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine
CID 76683881
1-Benzyl-1,2,3-triazole
CID 138203
1-benzyl-1H-1,2,3-triazol-4-amine
CID 56766768

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The IUPAC name of N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine (CID 122441038) is N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The canonical SMILES for N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine is CN(C)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The InChIKey is UKYFKBXNUAVYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-18(2)11-8-19(17-16-11)7-9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine has a molecular weight of 270.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine is sourced from PubChem (CID 122441038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).