6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline

C15H15Cl2N5O2 — CID 10642763

IUPAC6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline
SMILESCCC(c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12)n1cncn1
InChIInChI=1S/C15H15Cl2N5O2/c1-4-10(22-7-18-6-19-22)11-12(17)8(16)5-9-13(11)21-15(24-3)14(20-9)23-2/h5-7,10H,4H2,1-3H3
InChIKeyFGNUFVRDSRPILY-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.54
Rot. Bonds5

About 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline

6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline (PubChem CID 10642763) has the molecular formula C15H15Cl2N5O2 and a molecular weight of 368.22 g/mol. Its IUPAC name is 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline
PubChem CID10642763
Molecular FormulaC15H15Cl2N5O2
Molecular Weight368.22 g/mol
Exact Mass367.06
IUPAC Name6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline
SMILESCCC(c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12)n1cncn1
InChIInChI=1S/C15H15Cl2N5O2/c1-4-10(22-7-18-6-19-22)11-12(17)8(16)5-9-13(11)21-15(24-3)14(20-9)23-2/h5-7,10H,4H2,1-3H3
InChIKeyFGNUFVRDSRPILY-UHFFFAOYSA-N
XLogP3.54
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline?
The IUPAC name of 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline (CID 10642763) is 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline.
What is the SMILES notation for 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline?
The canonical SMILES for 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline is CCC(c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12)n1cncn1.
What is the InChIKey of 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline?
The InChIKey is FGNUFVRDSRPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O2/c1-4-10(22-7-18-6-19-22)11-12(17)8(16)5-9-13(11)21-15(24-3)14(20-9)23-2/h5-7,10H,4H2,1-3H3.
What are the key properties of 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline?
6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline has a molecular weight of 368.22 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2,3-dimethoxy-5-[1-(1,2,4-triazol-1-yl)propyl]quinoxaline is sourced from PubChem (CID 10642763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).