4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine

C13H13N5 — CID 15211774

IUPAC4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C13H13N5/c1-8-15-12(17-13(14)16-8)10-7-18(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyAAAHVLFJWDSDHF-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds1

About 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine

4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine (PubChem CID 15211774) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
PubChem CID15211774
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C13H13N5/c1-8-15-12(17-13(14)16-8)10-7-18(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyAAAHVLFJWDSDHF-UHFFFAOYSA-N
XLogP1.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128
2-(1-methylindol-3-yl)aniline
CID 138983733
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole
CID 166917687
1-methyl-3-(4-methylphenyl)indole
CID 58931542
5-(1-methylindol-3-yl)-1,3-oxazol-2-amine
CID 82284357
5-methyl-4-(1-methylindol-3-yl)thiophen-2-amine
CID 82477886
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369
2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine
CID 153412768

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine (CID 15211774) is 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine is Cc1nc(N)nc(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is AAAHVLFJWDSDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-15-12(17-13(14)16-8)10-7-18(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine?
4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15211774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).