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

C18H17N5 — CID 801661

IUPAC1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NCCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C18H17N5/c1-13-21-22-18-17(19-12-11-14-7-3-2-4-8-14)20-15-9-5-6-10-16(15)23(13)18/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyPEPADOBYWHDHGA-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.24
Rot. Bonds4

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

1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 801661) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID801661
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NCCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C18H17N5/c1-13-21-22-18-17(19-12-11-14-7-3-2-4-8-14)20-15-9-5-6-10-16(15)23(13)18/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyPEPADOBYWHDHGA-UHFFFAOYSA-N
XLogP3.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 801661) is 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1nnc2c(NCCc3ccccc3)nc3ccccc3n12.
What is the InChIKey of 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is PEPADOBYWHDHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-13-21-22-18-17(19-12-11-14-7-3-2-4-8-14)20-15-9-5-6-10-16(15)23(13)18/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 801661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).