N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C16H25F3N6O — CID 126776930

IUPACN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CCN1CC(F)(F)F
InChIInChI=1S/C16H25F3N6O/c1-12-9-23(7-8-24(12)10-16(17,18)19)15(26)21-14-20-11-25(22-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,21,22,26)
InChIKeyNUEAAIZYVJBMFG-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.88
Rot. Bonds3

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

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 126776930) has the molecular formula C16H25F3N6O and a molecular weight of 374.41 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID126776930
Molecular FormulaC16H25F3N6O
Molecular Weight374.41 g/mol
Exact Mass374.20
IUPAC NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CCN1CC(F)(F)F
InChIInChI=1S/C16H25F3N6O/c1-12-9-23(7-8-24(12)10-16(17,18)19)15(26)21-14-20-11-25(22-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,21,22,26)
InChIKeyNUEAAIZYVJBMFG-UHFFFAOYSA-N
XLogP2.88
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 126776930) is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CCN1CC(F)(F)F.
What is the InChIKey of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is NUEAAIZYVJBMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N6O/c1-12-9-23(7-8-24(12)10-16(17,18)19)15(26)21-14-20-11-25(22-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,21,22,26).
What are the key properties of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126776930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).