N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide

C14H15F4N5O — CID 119628217

IUPACN-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1nnn(-c2cccc(F)c2)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)9-5-3-4-8(15)6-9/h3-6H,7,19H2,1-2H3,(H,20,24)
InChIKeyCMFFQYBKLUBBOE-UHFFFAOYSA-N
MW345.30 g/mol
LogP1.89
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide

N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide (PubChem CID 119628217) has the molecular formula C14H15F4N5O and a molecular weight of 345.30 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
PubChem CID119628217
Molecular FormulaC14H15F4N5O
Molecular Weight345.30 g/mol
Exact Mass345.12
IUPAC NameN-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1nnn(-c2cccc(F)c2)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)9-5-3-4-8(15)6-9/h3-6H,7,19H2,1-2H3,(H,20,24)
InChIKeyCMFFQYBKLUBBOE-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

1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 119502155
N-[2-(ethylamino)ethyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119507058
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119629360
1-(3-fluorophenyl)-5-(trifluoromethyl)-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]triazole-4-carboxamide
CID 167753075
1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide
CID 119552344
3-[[1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249216
(3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone
CID 119379500
[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124693894
4-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240165
2-[4-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56586239
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
methyl 1-(3-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 94068963

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide (CID 119628217) is N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide is CC(C)(N)CNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide?
The InChIKey is CMFFQYBKLUBBOE-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)9-5-3-4-8(15)6-9/h3-6H,7,19H2,1-2H3,(H,20,24).
What are the key properties of N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide?
N-(2-amino-2-methylpropyl)-1-(3-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-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide is sourced from PubChem (CID 119628217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).