2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol

C10H9BrN4O — CID 167531341

IUPAC2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol
SMILESOCCc1nnc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C10H9BrN4O/c11-8-3-1-7(2-4-8)10-14-12-9(5-6-16)13-15-10/h1-4,16H,5-6H2
InChIKeyDPRSOJMFCJJWKU-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.23
Rot. Bonds3

About 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol

2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol (PubChem CID 167531341) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol
PubChem CID167531341
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol
SMILESOCCc1nnc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C10H9BrN4O/c11-8-3-1-7(2-4-8)10-14-12-9(5-6-16)13-15-10/h1-4,16H,5-6H2
InChIKeyDPRSOJMFCJJWKU-UHFFFAOYSA-N
XLogP1.23
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The IUPAC name of 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol (CID 167531341) is 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol.
What is the SMILES notation for 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The canonical SMILES for 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol is OCCc1nnc(-c2ccc(Br)cc2)nn1.
What is the InChIKey of 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The InChIKey is DPRSOJMFCJJWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-8-3-1-7(2-4-8)10-14-12-9(5-6-16)13-15-10/h1-4,16H,5-6H2.
What are the key properties of 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol?
2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol has a molecular weight of 281.11 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromophenyl)-1,2,4,5-tetrazin-3-yl]ethanol is sourced from PubChem (CID 167531341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).