6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C18H22BrN7 — CID 146241940

IUPAC6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(C)c(CC3CCN(c4cnc(Br)c(C)n4)C3)c(C)n2n1
InChIInChI=1S/C18H22BrN7/c1-10-15(12(3)26-18(22-10)23-13(4)24-26)7-14-5-6-25(9-14)16-8-20-17(19)11(2)21-16/h8,14H,5-7,9H2,1-4H3
InChIKeyYXTRSCMKIIZNSA-UHFFFAOYSA-N
MW416.33 g/mol
LogP2.98
Rot. Bonds3

About 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 146241940) has the molecular formula C18H22BrN7 and a molecular weight of 416.33 g/mol. Its IUPAC name is 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID146241940
Molecular FormulaC18H22BrN7
Molecular Weight416.33 g/mol
Exact Mass415.11
IUPAC Name6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(C)c(CC3CCN(c4cnc(Br)c(C)n4)C3)c(C)n2n1
InChIInChI=1S/C18H22BrN7/c1-10-15(12(3)26-18(22-10)23-13(4)24-26)7-14-5-6-25(9-14)16-8-20-17(19)11(2)21-16/h8,14H,5-7,9H2,1-4H3
InChIKeyYXTRSCMKIIZNSA-UHFFFAOYSA-N
XLogP2.98
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,7-trimethyl-6-[[(3R)-1-[6-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 146252829
6-[[(3R)-1-[5-[4-(chloromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 146243643
[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol
CID 146252873
4-[[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methyl]morpholine
CID 146252703
6-[[(3R)-1-[5-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]phenyl]pyrazin-2-yl]pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 146252771
4-[[4-[2-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]methyl]morpholine
CID 146241111
4-[[4-[2-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]methyl]morpholine
CID 146241112
tert-butyl 4-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]phenyl]-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 146241163
methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate
CID 142599995
(3R)-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-ol
CID 104929635
5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine
CID 114477528
butane;1-(4-cyclohexylphenyl)pyrrolidine;ethane;ethene;6-ethyl-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;propane
CID 162360877

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 146241940) is 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(C)c(CC3CCN(c4cnc(Br)c(C)n4)C3)c(C)n2n1.
What is the InChIKey of 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YXTRSCMKIIZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN7/c1-10-15(12(3)26-18(22-10)23-13(4)24-26)7-14-5-6-25(9-14)16-8-20-17(19)11(2)21-16/h8,14H,5-7,9H2,1-4H3.
What are the key properties of 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 416.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(5-bromo-6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]-2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146241940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).