N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C14H17N5O — CID 13385738

IUPACN,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCNc1nc2ccc(OC)cc2n2c(CC)nnc12
InChIInChI=1S/C14H17N5O/c1-4-12-17-18-14-13(15-5-2)16-10-7-6-9(20-3)8-11(10)19(12)14/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyJYFWKNBGVIYWRR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.28
Rot. Bonds4

About N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385738) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385738
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCNc1nc2ccc(OC)cc2n2c(CC)nnc12
InChIInChI=1S/C14H17N5O/c1-4-12-17-18-14-13(15-5-2)16-10-7-6-9(20-3)8-11(10)19(12)14/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyJYFWKNBGVIYWRR-UHFFFAOYSA-N
XLogP2.28
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385738) is N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCNc1nc2ccc(OC)cc2n2c(CC)nnc12.
What is the InChIKey of N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is JYFWKNBGVIYWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-12-17-18-14-13(15-5-2)16-10-7-6-9(20-3)8-11(10)19(12)14/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).