5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide

C12H11ClF3N7O2 — CID 47044630

IUPAC5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C12H11ClF3N7O2/c13-6-5-17-11(23-1-3-25-4-2-23)18-7(6)8(24)19-10-20-9(21-22-10)12(14,15)16/h5H,1-4H2,(H2,19,20,21,22,24)
InChIKeyXLYYJANHUQPOHT-UHFFFAOYSA-N
MW377.71 g/mol
LogP1.36
Rot. Bonds3

About 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide

5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide (PubChem CID 47044630) has the molecular formula C12H11ClF3N7O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide
PubChem CID47044630
Molecular FormulaC12H11ClF3N7O2
Molecular Weight377.71 g/mol
Exact Mass377.06
IUPAC Name5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C12H11ClF3N7O2/c13-6-5-17-11(23-1-3-25-4-2-23)18-7(6)8(24)19-10-20-9(21-22-10)12(14,15)16/h5H,1-4H2,(H2,19,20,21,22,24)
InChIKeyXLYYJANHUQPOHT-UHFFFAOYSA-N
XLogP1.36
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide
CID 47047110
6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 134023049
5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 51958351
5-chloro-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 167847919
4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2445635
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470
5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47052940
2-[(3,5,6-trichloro-2-pyridinyl)oxy]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 166940160
5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47044623
2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47047177

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide (CID 47044630) is 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1nc(N2CCOCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide?
The InChIKey is XLYYJANHUQPOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N7O2/c13-6-5-17-11(23-1-3-25-4-2-23)18-7(6)8(24)19-10-20-9(21-22-10)12(14,15)16/h5H,1-4H2,(H2,19,20,21,22,24).
What are the key properties of 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide?
5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide has a molecular weight of 377.71 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 47044630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).