3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine

C22H25F3N4 — CID 164681841

IUPAC3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
SMILESCCCN(CCC)c1c(Cc2ccc(C(F)(F)F)cc2)nnn1-c1ccccc1
InChIInChI=1S/C22H25F3N4/c1-3-14-28(15-4-2)21-20(26-27-29(21)19-8-6-5-7-9-19)16-17-10-12-18(13-11-17)22(23,24)25/h5-13H,3-4,14-16H2,1-2H3
InChIKeyNCTQJKONVSHGNA-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.50
Rot. Bonds8

About 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine

3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine (PubChem CID 164681841) has the molecular formula C22H25F3N4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine.

Molecular Properties

Compound Name3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
PubChem CID164681841
Molecular FormulaC22H25F3N4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
SMILESCCCN(CCC)c1c(Cc2ccc(C(F)(F)F)cc2)nnn1-c1ccccc1
InChIInChI=1S/C22H25F3N4/c1-3-14-28(15-4-2)21-20(26-27-29(21)19-8-6-5-7-9-19)16-17-10-12-18(13-11-17)22(23,24)25/h5-13H,3-4,14-16H2,1-2H3
InChIKeyNCTQJKONVSHGNA-UHFFFAOYSA-N
XLogP5.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine
CID 164681820
5-benzyl-3-(3-chlorophenyl)-N,N-dipropyltriazol-4-amine
CID 164681831
5-benzyl-3-(4-nitrophenyl)-N,N-dipropyltriazol-4-amine
CID 164681834
5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine
CID 155672832
N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 87021490
[5-tert-butyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769261
3-phenyl-6-[[4-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 7111163
[5-(diethylamino)-1-[4-(2,2-dimethylpropyl)phenyl]triazol-4-yl]methanol
CID 130376970
3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3539356
N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857210
4-(chloromethyl)-5-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]triazole
CID 56769776

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The IUPAC name of 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine (CID 164681841) is 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine.
What is the SMILES notation for 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The canonical SMILES for 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine is CCCN(CCC)c1c(Cc2ccc(C(F)(F)F)cc2)nnn1-c1ccccc1.
What is the InChIKey of 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The InChIKey is NCTQJKONVSHGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4/c1-3-14-28(15-4-2)21-20(26-27-29(21)19-8-6-5-7-9-19)16-17-10-12-18(13-11-17)22(23,24)25/h5-13H,3-4,14-16H2,1-2H3.
What are the key properties of 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine has a molecular weight of 402.46 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine is sourced from PubChem (CID 164681841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).