6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline

C20H20N6 — CID 71552176

IUPAC6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline
SMILESCCCCc1nnn(-c2cccc(C)n2)c1-c1ccc2nccnc2c1
InChIInChI=1S/C20H20N6/c1-3-4-7-17-20(15-9-10-16-18(13-15)22-12-11-21-16)26(25-24-17)19-8-5-6-14(2)23-19/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyVCJRLEFWWLYGEL-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.92
Rot. Bonds5

About 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline

6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline (PubChem CID 71552176) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline
PubChem CID71552176
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline
SMILESCCCCc1nnn(-c2cccc(C)n2)c1-c1ccc2nccnc2c1
InChIInChI=1S/C20H20N6/c1-3-4-7-17-20(15-9-10-16-18(13-15)22-12-11-21-16)26(25-24-17)19-8-5-6-14(2)23-19/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyVCJRLEFWWLYGEL-UHFFFAOYSA-N
XLogP3.92
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline?
The IUPAC name of 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline (CID 71552176) is 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline?
The canonical SMILES for 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline is CCCCc1nnn(-c2cccc(C)n2)c1-c1ccc2nccnc2c1.
What is the InChIKey of 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline?
The InChIKey is VCJRLEFWWLYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-3-4-7-17-20(15-9-10-16-18(13-15)22-12-11-21-16)26(25-24-17)19-8-5-6-14(2)23-19/h5-6,8-13H,3-4,7H2,1-2H3.
What are the key properties of 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline?
6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline has a molecular weight of 344.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-butyl-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline is sourced from PubChem (CID 71552176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).