N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C15H19N5 — CID 13385715

IUPACN,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N(CC)CC)nc3ccccc3n12
InChIInChI=1S/C15H19N5/c1-4-13-17-18-15-14(19(5-2)6-3)16-11-9-7-8-10-12(11)20(13)15/h7-10H,4-6H2,1-3H3
InChIKeyCCYLTMPHQCIOMN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.69
Rot. Bonds4

About N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385715) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385715
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N(CC)CC)nc3ccccc3n12
InChIInChI=1S/C15H19N5/c1-4-13-17-18-15-14(19(5-2)6-3)16-11-9-7-8-10-12(11)20(13)15/h7-10H,4-6H2,1-3H3
InChIKeyCCYLTMPHQCIOMN-UHFFFAOYSA-N
XLogP2.69
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385715) is N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(N(CC)CC)nc3ccccc3n12.
What is the InChIKey of N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is CCYLTMPHQCIOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-13-17-18-15-14(19(5-2)6-3)16-11-9-7-8-10-12(11)20(13)15/h7-10H,4-6H2,1-3H3.
What are the key properties of N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).