N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

C22H27F3N6O — CID 118473888

IUPACN-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nncc(-c3ccc(C(F)(F)F)cc3)n2)CC1)NC1CCCCC1
InChIInChI=1S/C22H27F3N6O/c23-22(24,25)17-8-6-16(7-9-17)19-14-26-29-21(28-19)31-12-10-30(11-13-31)15-20(32)27-18-4-2-1-3-5-18/h6-9,14,18H,1-5,10-13,15H2,(H,27,32)
InChIKeyLZYQNDPMAJLOPT-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.13
Rot. Bonds5

About N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (PubChem CID 118473888) has the molecular formula C22H27F3N6O and a molecular weight of 448.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
PubChem CID118473888
Molecular FormulaC22H27F3N6O
Molecular Weight448.49 g/mol
Exact Mass448.22
IUPAC NameN-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nncc(-c3ccc(C(F)(F)F)cc3)n2)CC1)NC1CCCCC1
InChIInChI=1S/C22H27F3N6O/c23-22(24,25)17-8-6-16(7-9-17)19-14-26-29-21(28-19)31-12-10-30(11-13-31)15-20(32)27-18-4-2-1-3-5-18/h6-9,14,18H,1-5,10-13,15H2,(H,27,32)
InChIKeyLZYQNDPMAJLOPT-UHFFFAOYSA-N
XLogP3.13
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (CID 118473888) is N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2nncc(-c3ccc(C(F)(F)F)cc3)n2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The InChIKey is LZYQNDPMAJLOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O/c23-22(24,25)17-8-6-16(7-9-17)19-14-26-29-21(28-19)31-12-10-30(11-13-31)15-20(32)27-18-4-2-1-3-5-18/h6-9,14,18H,1-5,10-13,15H2,(H,27,32).
What are the key properties of N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide has a molecular weight of 448.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 118473888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).