N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C15H16F3N5O — CID 166235240

IUPACN-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)C1CC(N)C1
InChIInChI=1S/C15H16F3N5O/c1-22(12-6-10(19)7-12)14(24)13-8-23(21-20-13)11-4-2-3-9(5-11)15(16,17)18/h2-5,8,10,12H,6-7,19H2,1H3
InChIKeyCOLAGQOWNLQWLR-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.85
Rot. Bonds3

About N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 166235240) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID166235240
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC NameN-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)C1CC(N)C1
InChIInChI=1S/C15H16F3N5O/c1-22(12-6-10(19)7-12)14(24)13-8-23(21-20-13)11-4-2-3-9(5-11)15(16,17)18/h2-5,8,10,12H,6-7,19H2,1H3
InChIKeyCOLAGQOWNLQWLR-UHFFFAOYSA-N
XLogP1.85
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119653449
N-(6-methoxy-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 99695730
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
1-[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119349202
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119622470
N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119565658
N-(2-amino-1-cyclohexylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119589694
(7-fluoro-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 155948393
4-methyl-4-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]pentanoic acid
CID 119357117
N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 155958354
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 166235240) is N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is CN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)C1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is COLAGQOWNLQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-22(12-6-10(19)7-12)14(24)13-8-23(21-20-13)11-4-2-3-9(5-11)15(16,17)18/h2-5,8,10,12H,6-7,19H2,1H3.
What are the key properties of N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 166235240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).