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

C10H14F3N5O — CID 131125767

IUPAC2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(NC(=O)C(F)(F)F)nc1C1CCCNC1
InChIInChI=1S/C10H14F3N5O/c1-18-7(6-3-2-4-14-5-6)15-9(17-18)16-8(19)10(11,12)13/h6,14H,2-5H2,1H3,(H,16,17,19)
InChIKeyTXHRXEHUBGEKQG-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.78
Rot. Bonds2

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

2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 131125767) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID131125767
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(NC(=O)C(F)(F)F)nc1C1CCCNC1
InChIInChI=1S/C10H14F3N5O/c1-18-7(6-3-2-4-14-5-6)15-9(17-18)16-8(19)10(11,12)13/h6,14H,2-5H2,1H3,(H,16,17,19)
InChIKeyTXHRXEHUBGEKQG-UHFFFAOYSA-N
XLogP0.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45236235
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
1-[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 72141826
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
CID 83865967
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 83866053
4-[1-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]piperidine
CID 84037646
3-[1-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]piperidine
CID 84037647
4-[2-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]piperidine
CID 84037650
3-[2-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]piperidine
CID 84037651
4-[[1-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 84037995
3-[[1-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 84037996
4-[[2-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 84037998

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide (CID 131125767) is 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide is Cn1nc(NC(=O)C(F)(F)F)nc1C1CCCNC1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is TXHRXEHUBGEKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-18-7(6-3-2-4-14-5-6)15-9(17-18)16-8(19)10(11,12)13/h6,14H,2-5H2,1H3,(H,16,17,19).
What are the key properties of 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide?
2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 277.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 131125767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).