N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C16H20F3N5O — CID 119653449

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C16H20F3N5O/c1-15(2,9-20)10-23(3)14(25)13-8-24(22-21-13)12-6-4-5-11(7-12)16(17,18)19/h4-8H,9-10,20H2,1-3H3
InChIKeyFBWJRFZSHSRDFA-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.34
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 119653449) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID119653449
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C16H20F3N5O/c1-15(2,9-20)10-23(3)14(25)13-8-24(22-21-13)12-6-4-5-11(7-12)16(17,18)19/h4-8H,9-10,20H2,1-3H3
InChIKeyFBWJRFZSHSRDFA-UHFFFAOYSA-N
XLogP2.34
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 166235240
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 99695730
N-(3-amino-2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide;hydrochloride
CID 119654212
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119656567
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
4-methyl-4-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]pentanoic acid
CID 119357117
1-[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119349202
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119565658
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119652843
N-(2-amino-1-cyclohexylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119589694

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 119653449) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is CN(CC(C)(C)CN)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is FBWJRFZSHSRDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-15(2,9-20)10-23(3)14(25)13-8-24(22-21-13)12-6-4-5-11(7-12)16(17,18)19/h4-8H,9-10,20H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 119653449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).