5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one

C12H11N5O — CID 82387510

IUPAC5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cnnc(N)n3)ccc21
InChIInChI=1S/C12H11N5O/c1-17-10-3-2-7(4-8(10)5-11(17)18)9-6-14-16-12(13)15-9/h2-4,6H,5H2,1H3,(H2,13,15,16)
InChIKeyFUZAEVLUUVAPND-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.64
Rot. Bonds1

About 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one

5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one (PubChem CID 82387510) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
PubChem CID82387510
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cnnc(N)n3)ccc21
InChIInChI=1S/C12H11N5O/c1-17-10-3-2-7(4-8(10)5-11(17)18)9-6-14-16-12(13)15-9/h2-4,6H,5H2,1H3,(H2,13,15,16)
InChIKeyFUZAEVLUUVAPND-UHFFFAOYSA-N
XLogP0.64
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
CID 116899433
4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile
CID 116900839
1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 60528907
5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
CID 9421508
1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 9420001
5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one
CID 82478357
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 17467764
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one
CID 116887881
1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
CID 66794059

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one (CID 82387510) is 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(-c3cnnc(N)n3)ccc21.
What is the InChIKey of 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one?
The InChIKey is FUZAEVLUUVAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-10-3-2-7(4-8(10)5-11(17)18)9-6-14-16-12(13)15-9/h2-4,6H,5H2,1H3,(H2,13,15,16).
What are the key properties of 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one?
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one has a molecular weight of 241.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82387510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).