2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide

C10H14F3N5O — CID 125450495

IUPAC2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide
SMILESO=C(NCc1nc([C@H]2CCCCN2)n[nH]1)C(F)(F)F
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)9(19)15-5-7-16-8(18-17-7)6-3-1-2-4-14-6/h6,14H,1-5H2,(H,15,19)(H,16,17,18)/t6-/m1/s1
InChIKeyNBCIJRUJMLUMHP-ZCFIWIBFSA-N
MW277.25 g/mol
LogP0.80
Rot. Bonds3

About 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide

2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide (PubChem CID 125450495) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide
PubChem CID125450495
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide
SMILESO=C(NCc1nc([C@H]2CCCCN2)n[nH]1)C(F)(F)F
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)9(19)15-5-7-16-8(18-17-7)6-3-1-2-4-14-6/h6,14H,1-5H2,(H,15,19)(H,16,17,18)/t6-/m1/s1
InChIKeyNBCIJRUJMLUMHP-ZCFIWIBFSA-N
XLogP0.80
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide with MolForge

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Related Compounds

2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 119032101
(2S)-2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 131946073
5-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 16677923
3-pyrrolidin-2-yl-5-[(2,3,4-trifluorophenyl)methyl]-1H-1,2,4-triazole
CID 82568314
N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 82568286
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
(3R)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 125439836
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265
1-cyclobutyl-3-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 155950012
5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82568309
(1R,9aR)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide;formic acid
CID 154906788
2-phenyl-N-[[3-[(3S)-piperidin-3-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 125451126

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide (CID 125450495) is 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide is O=C(NCc1nc([C@H]2CCCCN2)n[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide?
The InChIKey is NBCIJRUJMLUMHP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)9(19)15-5-7-16-8(18-17-7)6-3-1-2-4-14-6/h6,14H,1-5H2,(H,15,19)(H,16,17,18)/t6-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide has a molecular weight of 277.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide is sourced from PubChem (CID 125450495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).