2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

C16H18F3N7O — CID 133282026

IUPAC2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cnn(CC2CN(c3cc(C)nc4nc(C(F)(F)F)nn34)CCO2)c1
InChIInChI=1S/C16H18F3N7O/c1-10-6-20-25(7-10)9-12-8-24(3-4-27-12)13-5-11(2)21-15-22-14(16(17,18)19)23-26(13)15/h5-7,12H,3-4,8-9H2,1-2H3
InChIKeyJOADPSCLLCBNEE-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.86
Rot. Bonds3

About 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 133282026) has the molecular formula C16H18F3N7O and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID133282026
Molecular FormulaC16H18F3N7O
Molecular Weight381.36 g/mol
Exact Mass381.15
IUPAC Name2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cnn(CC2CN(c3cc(C)nc4nc(C(F)(F)F)nn34)CCO2)c1
InChIInChI=1S/C16H18F3N7O/c1-10-6-20-25(7-10)9-12-8-24(3-4-27-12)13-5-11(2)21-15-22-14(16(17,18)19)23-26(13)15/h5-7,12H,3-4,8-9H2,1-2H3
InChIKeyJOADPSCLLCBNEE-UHFFFAOYSA-N
XLogP1.86
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 133282026) is 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cnn(CC2CN(c3cc(C)nc4nc(C(F)(F)F)nn34)CCO2)c1.
What is the InChIKey of 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is JOADPSCLLCBNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7O/c1-10-6-20-25(7-10)9-12-8-24(3-4-27-12)13-5-11(2)21-15-22-14(16(17,18)19)23-26(13)15/h5-7,12H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 381.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrazol-1-yl)methyl]-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 133282026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).