5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline

C12H11N5O — CID 113305042

IUPAC5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
SMILESCOc1ccc(-c2nnc3cnccn23)c(N)c1
InChIInChI=1S/C12H11N5O/c1-18-8-2-3-9(10(13)6-8)12-16-15-11-7-14-4-5-17(11)12/h2-7H,13H2,1H3
InChIKeyBSNGMPMHGZUZNY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.38
Rot. Bonds2

About 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline

5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline (PubChem CID 113305042) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline.

Molecular Properties

Compound Name5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
PubChem CID113305042
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
SMILESCOc1ccc(-c2nnc3cnccn23)c(N)c1
InChIInChI=1S/C12H11N5O/c1-18-8-2-3-9(10(13)6-8)12-16-15-11-7-14-4-5-17(11)12/h2-7H,13H2,1H3
InChIKeyBSNGMPMHGZUZNY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479089
3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 4730548
3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 67251777
4-methoxy-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 115411712
3-(2-fluoro-5-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 157018346
1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine
CID 43479093
7-methoxy-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143138
2-(1,5-dimethyl-1,2,4-triazol-3-yl)-5-methoxyaniline
CID 82472159
2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyrazine
CID 14116978
3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 157018746
5-methoxy-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 115411776
3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 590449

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The IUPAC name of 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline (CID 113305042) is 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline.
What is the SMILES notation for 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The canonical SMILES for 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline is COc1ccc(-c2nnc3cnccn23)c(N)c1.
What is the InChIKey of 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The InChIKey is BSNGMPMHGZUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-8-2-3-9(10(13)6-8)12-16-15-11-7-14-4-5-17(11)12/h2-7H,13H2,1H3.
What are the key properties of 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline 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 5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline is sourced from PubChem (CID 113305042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).