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

C15H18ClN5 — CID 13385722

IUPAC8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N(CC)CC)nc3ccc(Cl)cc3n12
InChIInChI=1S/C15H18ClN5/c1-4-13-18-19-15-14(20(5-2)6-3)17-11-8-7-10(16)9-12(11)21(13)15/h7-9H,4-6H2,1-3H3
InChIKeyARSLYVWGUXVWSB-UHFFFAOYSA-N
MW303.80 g/mol
LogP3.34
Rot. Bonds4

About 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385722) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385722
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N(CC)CC)nc3ccc(Cl)cc3n12
InChIInChI=1S/C15H18ClN5/c1-4-13-18-19-15-14(20(5-2)6-3)17-11-8-7-10(16)9-12(11)21(13)15/h7-9H,4-6H2,1-3H3
InChIKeyARSLYVWGUXVWSB-UHFFFAOYSA-N
XLogP3.34
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385722) is 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(N(CC)CC)nc3ccc(Cl)cc3n12.
What is the InChIKey of 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is ARSLYVWGUXVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-4-13-18-19-15-14(20(5-2)6-3)17-11-8-7-10(16)9-12(11)21(13)15/h7-9H,4-6H2,1-3H3.
What are the key properties of 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 303.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,N,1-triethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).