N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C14H23F3N6O — CID 75394155

IUPACN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCCc1nncn1CCNC(=O)N1CCN(CC(F)(F)F)C(C)C1
InChIInChI=1S/C14H23F3N6O/c1-3-12-20-19-10-23(12)5-4-18-13(24)21-6-7-22(11(2)8-21)9-14(15,16)17/h10-11H,3-9H2,1-2H3,(H,18,24)
InChIKeyXUTBZJGTINXEJO-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 75394155) has the molecular formula C14H23F3N6O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID75394155
Molecular FormulaC14H23F3N6O
Molecular Weight348.37 g/mol
Exact Mass348.19
IUPAC NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCCc1nncn1CCNC(=O)N1CCN(CC(F)(F)F)C(C)C1
InChIInChI=1S/C14H23F3N6O/c1-3-12-20-19-10-23(12)5-4-18-13(24)21-6-7-22(11(2)8-21)9-14(15,16)17/h10-11H,3-9H2,1-2H3,(H,18,24)
InChIKeyXUTBZJGTINXEJO-UHFFFAOYSA-N
XLogP1.12
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 75394155) is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CCc1nncn1CCNC(=O)N1CCN(CC(F)(F)F)C(C)C1.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is XUTBZJGTINXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N6O/c1-3-12-20-19-10-23(12)5-4-18-13(24)21-6-7-22(11(2)8-21)9-14(15,16)17/h10-11H,3-9H2,1-2H3,(H,18,24).
What are the key properties of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 75394155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).