1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C15H19N5 — CID 22520069

IUPAC1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NCCC(C)C)nc3ccccc3n12
InChIInChI=1S/C15H19N5/c1-10(2)8-9-16-14-15-19-18-11(3)20(15)13-7-5-4-6-12(13)17-14/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyWQDCFBSPUHGEAY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.04
Rot. Bonds4

About 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22520069) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22520069
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NCCC(C)C)nc3ccccc3n12
InChIInChI=1S/C15H19N5/c1-10(2)8-9-16-14-15-19-18-11(3)20(15)13-7-5-4-6-12(13)17-14/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyWQDCFBSPUHGEAY-UHFFFAOYSA-N
XLogP3.04
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22520069) is 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1nnc2c(NCCC(C)C)nc3ccccc3n12.
What is the InChIKey of 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is WQDCFBSPUHGEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10(2)8-9-16-14-15-19-18-11(3)20(15)13-7-5-4-6-12(13)17-14/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22520069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).