5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine

C12H11N5O — CID 82387503

IUPAC5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine
SMILESCOc1ccc2cc(-c3cnnc(N)n3)[nH]c2c1
InChIInChI=1S/C12H11N5O/c1-18-8-3-2-7-4-10(15-9(7)5-8)11-6-14-17-12(13)16-11/h2-6,15H,1H3,(H2,13,16,17)
InChIKeyIGJMSLRGQKLKJG-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.61
Rot. Bonds2

About 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine

5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine (PubChem CID 82387503) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine
PubChem CID82387503
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine
SMILESCOc1ccc2cc(-c3cnnc(N)n3)[nH]c2c1
InChIInChI=1S/C12H11N5O/c1-18-8-3-2-7-4-10(15-9(7)5-8)11-6-14-17-12(13)16-11/h2-6,15H,1H3,(H2,13,16,17)
InChIKeyIGJMSLRGQKLKJG-UHFFFAOYSA-N
XLogP1.61
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine (CID 82387503) is 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine is COc1ccc2cc(-c3cnnc(N)n3)[nH]c2c1.
What is the InChIKey of 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is IGJMSLRGQKLKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-8-3-2-7-4-10(15-9(7)5-8)11-6-14-17-12(13)16-11/h2-6,15H,1H3,(H2,13,16,17).
What are the key properties of 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine?
5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 241.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 82387503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).