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

C13H14ClN5 — CID 13385772

IUPAC7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN(CC)c1nc2cc(Cl)ccc2n2cnnc12
InChIInChI=1S/C13H14ClN5/c1-3-18(4-2)12-13-17-15-8-19(13)11-6-5-9(14)7-10(11)16-12/h5-8H,3-4H2,1-2H3
InChIKeyMWNBMNAPXAGFDF-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.78
Rot. Bonds3

About 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385772) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385772
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN(CC)c1nc2cc(Cl)ccc2n2cnnc12
InChIInChI=1S/C13H14ClN5/c1-3-18(4-2)12-13-17-15-8-19(13)11-6-5-9(14)7-10(11)16-12/h5-8H,3-4H2,1-2H3
InChIKeyMWNBMNAPXAGFDF-UHFFFAOYSA-N
XLogP2.78
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385772) is 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCN(CC)c1nc2cc(Cl)ccc2n2cnnc12.
What is the InChIKey of 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is MWNBMNAPXAGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-3-18(4-2)12-13-17-15-8-19(13)11-6-5-9(14)7-10(11)16-12/h5-8H,3-4H2,1-2H3.
What are the key properties of 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 275.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).