N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide

C13H14F3N5O2 — CID 135519727

IUPACN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12)C1CCCCC1
InChIInChI=1S/C13H14F3N5O2/c14-13(15,16)11-19-12-18-9(22)6-8(21(12)20-11)17-10(23)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,17,23)(H,18,19,20,22)
InChIKeySBCAJCNLDRLLGZ-UHFFFAOYSA-N
MW329.28 g/mol
LogP1.96
Rot. Bonds2

About N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide

N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide (PubChem CID 135519727) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide
PubChem CID135519727
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC NameN-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12)C1CCCCC1
InChIInChI=1S/C13H14F3N5O2/c14-13(15,16)11-19-12-18-9(22)6-8(21(12)20-11)17-10(23)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,17,23)(H,18,19,20,22)
InChIKeySBCAJCNLDRLLGZ-UHFFFAOYSA-N
XLogP1.96
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide (CID 135519727) is N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide is O=C(Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12)C1CCCCC1.
What is the InChIKey of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide?
The InChIKey is SBCAJCNLDRLLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c14-13(15,16)11-19-12-18-9(22)6-8(21(12)20-11)17-10(23)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,17,23)(H,18,19,20,22).
What are the key properties of N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide?
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide has a molecular weight of 329.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide is sourced from PubChem (CID 135519727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).