N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C16H18F3N5O — CID 119565658

IUPACN-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESNCC1(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CCCC1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)11-4-3-5-12(8-11)24-9-13(22-23-24)14(25)21-15(10-20)6-1-2-7-15/h3-5,8-9H,1-2,6-7,10,20H2,(H,21,25)
InChIKeyYOBJLNHOZDHOJJ-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.29
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 119565658) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID119565658
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESNCC1(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CCCC1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)11-4-3-5-12(8-11)24-9-13(22-23-24)14(25)21-15(10-20)6-1-2-7-15/h3-5,8-9H,1-2,6-7,10,20H2,(H,21,25)
InChIKeyYOBJLNHOZDHOJJ-UHFFFAOYSA-N
XLogP2.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119566010
N-(2-amino-1-cyclohexylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119589694
N-[1-(aminomethyl)cyclopentyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119567731
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 120890672
4-methyl-4-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]pentanoic acid
CID 119357117
(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-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 155958354
(E)-2-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]hex-4-enoic acid
CID 120692776
N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 166235240
N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 155950022

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 119565658) is N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is NCC1(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is YOBJLNHOZDHOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c17-16(18,19)11-4-3-5-12(8-11)24-9-13(22-23-24)14(25)21-15(10-20)6-1-2-7-15/h3-5,8-9H,1-2,6-7,10,20H2,(H,21,25).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 119565658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).