4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole

C16H16BrN5O2 — CID 67955233

IUPAC4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole
SMILESCOc1nccnc1Oc1ccc2c(nnn2CC2CCC2)c1Br
InChIInChI=1S/C16H16BrN5O2/c1-23-15-16(19-8-7-18-15)24-12-6-5-11-14(13(12)17)20-21-22(11)9-10-3-2-4-10/h5-8,10H,2-4,9H2,1H3
InChIKeyFYVCLTZSJPZJJO-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.58
Rot. Bonds5

About 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole

4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole (PubChem CID 67955233) has the molecular formula C16H16BrN5O2 and a molecular weight of 390.24 g/mol. Its IUPAC name is 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole.

Molecular Properties

Compound Name4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole
PubChem CID67955233
Molecular FormulaC16H16BrN5O2
Molecular Weight390.24 g/mol
Exact Mass389.05
IUPAC Name4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole
SMILESCOc1nccnc1Oc1ccc2c(nnn2CC2CCC2)c1Br
InChIInChI=1S/C16H16BrN5O2/c1-23-15-16(19-8-7-18-15)24-12-6-5-11-14(13(12)17)20-21-22(11)9-10-3-2-4-10/h5-8,10H,2-4,9H2,1H3
InChIKeyFYVCLTZSJPZJJO-UHFFFAOYSA-N
XLogP3.58
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole?
The IUPAC name of 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole (CID 67955233) is 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole.
What is the SMILES notation for 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole?
The canonical SMILES for 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole is COc1nccnc1Oc1ccc2c(nnn2CC2CCC2)c1Br.
What is the InChIKey of 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole?
The InChIKey is FYVCLTZSJPZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O2/c1-23-15-16(19-8-7-18-15)24-12-6-5-11-14(13(12)17)20-21-22(11)9-10-3-2-4-10/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole?
4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole has a molecular weight of 390.24 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclobutylmethyl)-5-(3-methoxypyrazin-2-yl)oxybenzotriazole is sourced from PubChem (CID 67955233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).