2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C19H18BrN7O — CID 123785140

IUPAC2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1ccc(Cn2nc(Br)nc2C=Cc2nc3c(C)ncc(C)n3n2)cc1
InChIInChI=1S/C19H18BrN7O/c1-12-10-21-13(2)18-22-16(24-27(12)18)8-9-17-23-19(20)25-26(17)11-14-4-6-15(28-3)7-5-14/h4-10H,11H2,1-3H3
InChIKeyHJPZXRWVAVHUTH-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 123785140) has the molecular formula C19H18BrN7O and a molecular weight of 440.31 g/mol. Its IUPAC name is 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID123785140
Molecular FormulaC19H18BrN7O
Molecular Weight440.31 g/mol
Exact Mass439.08
IUPAC Name2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1ccc(Cn2nc(Br)nc2C=Cc2nc3c(C)ncc(C)n3n2)cc1
InChIInChI=1S/C19H18BrN7O/c1-12-10-21-13(2)18-22-16(24-27(12)18)8-9-17-23-19(20)25-26(17)11-14-4-6-15(28-3)7-5-14/h4-10H,11H2,1-3H3
InChIKeyHJPZXRWVAVHUTH-UHFFFAOYSA-N
XLogP3.32
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Related Compounds

2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 141412869
N-(cyclopropylmethyl)-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine
CID 123946457
3-bromo-5-(1-fluoro-2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole
CID 167408360
1-[4-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-5-yl]ethanone
CID 90162740
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
2-[[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-methylamino]ethanol
CID 167408364
5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139774000
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803
1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-d]pyridazine
CID 19437773
1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole
CID 166377375

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 123785140) is 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is COc1ccc(Cn2nc(Br)nc2C=Cc2nc3c(C)ncc(C)n3n2)cc1.
What is the InChIKey of 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is HJPZXRWVAVHUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7O/c1-12-10-21-13(2)18-22-16(24-27(12)18)8-9-17-23-19(20)25-26(17)11-14-4-6-15(28-3)7-5-14/h4-10H,11H2,1-3H3.
What are the key properties of 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 440.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-bromo-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 123785140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).