5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C17H18F3N7 — CID 4907583

IUPAC5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cccc(N2CCN(c3cc(C)nc4nc(C(F)(F)F)nn34)CC2)n1
InChIInChI=1S/C17H18F3N7/c1-11-4-3-5-13(21-11)25-6-8-26(9-7-25)14-10-12(2)22-16-23-15(17(18,19)20)24-27(14)16/h3-5,10H,6-9H2,1-2H3
InChIKeyXDSMSVDGGWMSNT-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.48
Rot. Bonds2

About 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4907583) has the molecular formula C17H18F3N7 and a molecular weight of 377.37 g/mol. Its IUPAC name is 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4907583
Molecular FormulaC17H18F3N7
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC Name5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cccc(N2CCN(c3cc(C)nc4nc(C(F)(F)F)nn34)CC2)n1
InChIInChI=1S/C17H18F3N7/c1-11-4-3-5-13(21-11)25-6-8-26(9-7-25)14-10-12(2)22-16-23-15(17(18,19)20)24-27(14)16/h3-5,10H,6-9H2,1-2H3
InChIKeyXDSMSVDGGWMSNT-UHFFFAOYSA-N
XLogP2.48
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4907583) is 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cccc(N2CCN(c3cc(C)nc4nc(C(F)(F)F)nn34)CC2)n1.
What is the InChIKey of 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XDSMSVDGGWMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7/c1-11-4-3-5-13(21-11)25-6-8-26(9-7-25)14-10-12(2)22-16-23-15(17(18,19)20)24-27(14)16/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 377.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4907583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).