1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

C₁₈H₁₆ClN₅ — CID 71153332

About 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (PubChem CID 71153332) has the molecular formula C₁₈H₁₆ClN₅ and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
• PubChem CID: 71153332
• Molecular Formula: C₁₈H₁₆ClN₅
• Molecular Weight: 337.81 g/mol
• Exact Mass: 337.11
• IUPAC Name: 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
• SMILES: Cc1nc2ccc(N(C)C)cc2n2c(-c3ccccc3Cl)nnc12
• InChI: InChI=1S/C18H16ClN5/c1-11-17-21-22-18(13-6-4-5-7-14(13)19)24(17)16-10-12(23(2)3)8-9-15(16)20-11/h4-10H,1-3H3
• InChIKey: VWVKVFZRFDUMRX-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 46.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.81
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?

The IUPAC name of 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (CID 71153332) is 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.

What is the SMILES notation for 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?

The canonical SMILES for 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is Cc1nc2ccc(N(C)C)cc2n2c(-c3ccccc3Cl)nnc12.

What is the InChIKey of 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?

The InChIKey is VWVKVFZRFDUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-11-17-21-22-18(13-6-4-5-7-14(13)19)24(17)16-10-12(23(2)3)8-9-15(16)20-11/h4-10H,1-3H3.

What are the key properties of 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?

1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine has a molecular weight of 337.81 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is sourced from PubChem (CID 71153332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71153332 — identifiers, structure, computed properties (public domain)

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