[6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine

C14H15N5 — CID 82381880

IUPAC[6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine
SMILESCc1[nH]c2cccc(C)c2c1-c1cnc(CN)nn1
InChIInChI=1S/C14H15N5/c1-8-4-3-5-10-13(8)14(9(2)17-10)11-7-16-12(6-15)19-18-11/h3-5,7,17H,6,15H2,1-2H3
InChIKeyVCNISGMKRAIIOK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.10
Rot. Bonds2

About [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine

[6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine (PubChem CID 82381880) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine
PubChem CID82381880
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name[6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine
SMILESCc1[nH]c2cccc(C)c2c1-c1cnc(CN)nn1
InChIInChI=1S/C14H15N5/c1-8-4-3-5-10-13(8)14(9(2)17-10)11-7-16-12(6-15)19-18-11/h3-5,7,17H,6,15H2,1-2H3
InChIKeyVCNISGMKRAIIOK-UHFFFAOYSA-N
XLogP2.10
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine?
The IUPAC name of [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine (CID 82381880) is [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine.
What is the SMILES notation for [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine?
The canonical SMILES for [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine is Cc1[nH]c2cccc(C)c2c1-c1cnc(CN)nn1.
What is the InChIKey of [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine?
The InChIKey is VCNISGMKRAIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-8-4-3-5-10-13(8)14(9(2)17-10)11-7-16-12(6-15)19-18-11/h3-5,7,17H,6,15H2,1-2H3.
What are the key properties of [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine?
[6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine is sourced from PubChem (CID 82381880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).