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

C14H14F3N7 — CID 56778102

IUPAC5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCc3c(ncn3C)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H14F3N7/c1-8-5-11(23-4-3-10-9(6-23)18-7-22(10)2)24-13(19-8)20-12(21-24)14(15,16)17/h5,7H,3-4,6H2,1-2H3
InChIKeyBAVISQZRRNYIFX-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.75
Rot. Bonds1

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

5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 56778102) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID56778102
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCc3c(ncn3C)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H14F3N7/c1-8-5-11(23-4-3-10-9(6-23)18-7-22(10)2)24-13(19-8)20-12(21-24)14(15,16)17/h5,7H,3-4,6H2,1-2H3
InChIKeyBAVISQZRRNYIFX-UHFFFAOYSA-N
XLogP1.75
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 56778102) is 5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[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-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCc3c(ncn3C)C2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BAVISQZRRNYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7/c1-8-5-11(23-4-3-10-9(6-23)18-7-22(10)2)24-13(19-8)20-12(21-24)14(15,16)17/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 337.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56778102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).