N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide

C14H20F3N5O2 — CID 75454112

IUPACN-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCNC(=O)Cn1cnc(NC(=O)CC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N5O2/c1-18-12(24)7-22-8-19-13(21-22)20-11(23)6-9-2-4-10(5-3-9)14(15,16)17/h8-10H,2-7H2,1H3,(H,18,24)(H,20,21,23)
InChIKeyBJENAUGFSSVBBL-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.72
Rot. Bonds5

About N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide

N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 75454112) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID75454112
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCNC(=O)Cn1cnc(NC(=O)CC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N5O2/c1-18-12(24)7-22-8-19-13(21-22)20-11(23)6-9-2-4-10(5-3-9)14(15,16)17/h8-10H,2-7H2,1H3,(H,18,24)(H,20,21,23)
InChIKeyBJENAUGFSSVBBL-UHFFFAOYSA-N
XLogP1.72
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 75454112) is N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide is CNC(=O)Cn1cnc(NC(=O)CC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is BJENAUGFSSVBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-18-12(24)7-22-8-19-13(21-22)20-11(23)6-9-2-4-10(5-3-9)14(15,16)17/h8-10H,2-7H2,1H3,(H,18,24)(H,20,21,23).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 75454112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).