5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C15H19N7 — CID 155976182

IUPAC5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CC(Cn3ccnc3C)C2)c1C
InChIInChI=1S/C15H19N7/c1-10-11(2)19-15-17-9-18-22(15)14(10)21-7-13(8-21)6-20-5-4-16-12(20)3/h4-5,9,13H,6-8H2,1-3H3
InChIKeyAVMOWQFDGFWZOK-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.38
Rot. Bonds3

About 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 155976182) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID155976182
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CC(Cn3ccnc3C)C2)c1C
InChIInChI=1S/C15H19N7/c1-10-11(2)19-15-17-9-18-22(15)14(10)21-7-13(8-21)6-20-5-4-16-12(20)3/h4-5,9,13H,6-8H2,1-3H3
InChIKeyAVMOWQFDGFWZOK-UHFFFAOYSA-N
XLogP1.38
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
6-tert-butyl-3-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944353
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
5,6-dimethyl-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126933939
7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162521895
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864362
5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874109
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863934
7-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97066727
7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154582671
7-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155975195
2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 163344567

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 155976182) is 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(N2CC(Cn3ccnc3C)C2)c1C.
What is the InChIKey of 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AVMOWQFDGFWZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-10-11(2)19-15-17-9-18-22(15)14(10)21-7-13(8-21)6-20-5-4-16-12(20)3/h4-5,9,13H,6-8H2,1-3H3.
What are the key properties of 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 297.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155976182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).