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

C13H15N5 — CID 654516

IUPACN,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN(CC)c1nc2ccccc2n2cnnc12
InChIInChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3
InChIKeyKTRZFDUOUIVFLG-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.12
Rot. Bonds3

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

N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 654516) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID654516
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN(CC)c1nc2ccccc2n2cnnc12
InChIInChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3
InChIKeyKTRZFDUOUIVFLG-UHFFFAOYSA-N
XLogP2.12
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 654516) is N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCN(CC)c1nc2ccccc2n2cnnc12.
What is the InChIKey of N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is KTRZFDUOUIVFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 241.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 654516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).