6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine

C12H11N5O — CID 136664249

IUPAC6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
SMILESCOc1ccc(-c2cn3c(N)nnc3cn2)cc1
InChIInChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)10-7-17-11(6-14-10)15-16-12(17)13/h2-7H,1H3,(H2,13,16)
InChIKeyYHRVOUJPLHPIGC-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.38
Rot. Bonds2

About 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine

6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine (PubChem CID 136664249) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
PubChem CID136664249
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
SMILESCOc1ccc(-c2cn3c(N)nnc3cn2)cc1
InChIInChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)10-7-17-11(6-14-10)15-16-12(17)13/h2-7H,1H3,(H2,13,16)
InChIKeyYHRVOUJPLHPIGC-UHFFFAOYSA-N
XLogP1.38
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555560
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555591
methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate
CID 162403402
2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine;hydrobromide
CID 19234166
5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine
CID 35754869
5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid
CID 139620580
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol
CID 134555720
6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol
CID 136918359
ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
CID 134544072
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
2-(4-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25253879

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine (CID 136664249) is 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine is COc1ccc(-c2cn3c(N)nnc3cn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The InChIKey is YHRVOUJPLHPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)10-7-17-11(6-14-10)15-16-12(17)13/h2-7H,1H3,(H2,13,16).
What are the key properties of 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine has a molecular weight of 241.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine is sourced from PubChem (CID 136664249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).