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

C19H19N5 — CID 22431387

IUPAC8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1cccc(CCNc2nc3ccc(C)cc3n3cnnc23)c1
InChIInChI=1S/C19H19N5/c1-13-4-3-5-15(10-13)8-9-20-18-19-23-21-12-24(19)17-11-14(2)6-7-16(17)22-18/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)
InChIKeyMFYPCZCBQPZYEA-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.55
Rot. Bonds4

About 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431387) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431387
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1cccc(CCNc2nc3ccc(C)cc3n3cnnc23)c1
InChIInChI=1S/C19H19N5/c1-13-4-3-5-15(10-13)8-9-20-18-19-23-21-12-24(19)17-11-14(2)6-7-16(17)22-18/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)
InChIKeyMFYPCZCBQPZYEA-UHFFFAOYSA-N
XLogP3.55
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431387) is 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1cccc(CCNc2nc3ccc(C)cc3n3cnnc23)c1.
What is the InChIKey of 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is MFYPCZCBQPZYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-4-3-5-15(10-13)8-9-20-18-19-23-21-12-24(19)17-11-14(2)6-7-16(17)22-18/h3-7,10-12H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).