N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide

C14H15F4N5O — CID 119629360

IUPACN-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C14H15F4N5O/c1-13(2,19)7-20-12(24)10-11(14(16,17)18)23(22-21-10)9-6-4-3-5-8(9)15/h3-6H,7,19H2,1-2H3,(H,20,24)
InChIKeyCHYZJXRZTJOWFE-UHFFFAOYSA-N
MW345.30 g/mol
LogP1.89
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide

N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide (PubChem CID 119629360) has the molecular formula C14H15F4N5O and a molecular weight of 345.30 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
PubChem CID119629360
Molecular FormulaC14H15F4N5O
Molecular Weight345.30 g/mol
Exact Mass345.12
IUPAC NameN-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C14H15F4N5O/c1-13(2,19)7-20-12(24)10-11(14(16,17)18)23(22-21-10)9-6-4-3-5-8(9)15/h3-6H,7,19H2,1-2H3,(H,20,24)
InChIKeyCHYZJXRZTJOWFE-UHFFFAOYSA-N
XLogP1.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249216
N-(3-aminopropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119407882
N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119628217
1-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119448075
3-[[1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119227868
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 120573418
N-(2-amino-2-methylpropyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119630562
[1-(2-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541373
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone
CID 120819897
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166084
[1-(2-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561897

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide (CID 119629360) is N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide is CC(C)(N)CNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide?
The InChIKey is CHYZJXRZTJOWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N5O/c1-13(2,19)7-20-12(24)10-11(14(16,17)18)23(22-21-10)9-6-4-3-5-8(9)15/h3-6H,7,19H2,1-2H3,(H,20,24).
What are the key properties of N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide?
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide has a molecular weight of 345.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide is sourced from PubChem (CID 119629360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).