3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline

C22H22N6O — CID 57053446

IUPAC3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline
SMILESCOc1ccc(-n2nncc2-c2ncn3c2CN(C(C)C)c2ccccc2-3)cc1
InChIInChI=1S/C22H22N6O/c1-15(2)26-13-21-22(23-14-27(21)19-7-5-4-6-18(19)26)20-12-24-25-28(20)16-8-10-17(29-3)11-9-16/h4-12,14-15H,13H2,1-3H3
InChIKeyVBKKUXNIFQIBEF-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.86
Rot. Bonds4

About 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline

3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline (PubChem CID 57053446) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline
PubChem CID57053446
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline
SMILESCOc1ccc(-n2nncc2-c2ncn3c2CN(C(C)C)c2ccccc2-3)cc1
InChIInChI=1S/C22H22N6O/c1-15(2)26-13-21-22(23-14-27(21)19-7-5-4-6-18(19)26)20-12-24-25-28(20)16-8-10-17(29-3)11-9-16/h4-12,14-15H,13H2,1-3H3
InChIKeyVBKKUXNIFQIBEF-UHFFFAOYSA-N
XLogP3.86
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline?
The IUPAC name of 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline (CID 57053446) is 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline?
The canonical SMILES for 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline is COc1ccc(-n2nncc2-c2ncn3c2CN(C(C)C)c2ccccc2-3)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline?
The InChIKey is VBKKUXNIFQIBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15(2)26-13-21-22(23-14-27(21)19-7-5-4-6-18(19)26)20-12-24-25-28(20)16-8-10-17(29-3)11-9-16/h4-12,14-15H,13H2,1-3H3.
What are the key properties of 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline?
3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline has a molecular weight of 386.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 57053446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).