5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H12F3N7 — CID 133288322

IUPAC5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCc3[nH]ncc3C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H12F3N7/c1-7-4-10(22-3-2-9-8(6-22)5-17-20-9)23-12(18-7)19-11(21-23)13(14,15)16/h4-5H,2-3,6H2,1H3,(H,17,20)
InChIKeyMEUOBQGMPPWSHP-UHFFFAOYSA-N
MW323.28 g/mol
LogP1.74
Rot. Bonds1

About 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133288322) has the molecular formula C13H12F3N7 and a molecular weight of 323.28 g/mol. Its IUPAC name is 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133288322
Molecular FormulaC13H12F3N7
Molecular Weight323.28 g/mol
Exact Mass323.11
IUPAC Name5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCc3[nH]ncc3C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H12F3N7/c1-7-4-10(22-3-2-9-8(6-22)5-17-20-9)23-12(18-7)19-11(21-23)13(14,15)16/h4-5H,2-3,6H2,1H3,(H,17,20)
InChIKeyMEUOBQGMPPWSHP-UHFFFAOYSA-N
XLogP1.74
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine
CID 133381228
3-[2-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325144
5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4907583
7-(4-benzylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4911740
7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126825743
N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine
CID 95314791
7-[(3S)-3-ethoxypiperidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95138372
7-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133292110
7-[(1R,6S)-2-azabicyclo[4.1.0]heptan-2-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 125419600
2-(4-fluorophenoxy)-1-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 78898954
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CID 133449954
7-cyclohexylsulfanyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 78857899

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133288322) is 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCc3[nH]ncc3C2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MEUOBQGMPPWSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N7/c1-7-4-10(22-3-2-9-8(6-22)5-17-20-9)23-12(18-7)19-11(21-23)13(14,15)16/h4-5H,2-3,6H2,1H3,(H,17,20).
What are the key properties of 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 323.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133288322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).