2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol

C18H18Cl2N4O — CID 12912737

IUPAC2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol
SMILESCCN1N=C(c2ccccc2Cl)N(CCO)N=C1c1ccccc1Cl
InChIInChI=1S/C18H18Cl2N4O/c1-2-23-17(13-7-3-5-9-15(13)19)22-24(11-12-25)18(21-23)14-8-4-6-10-16(14)20/h3-10,25H,2,11-12H2,1H3
InChIKeyZEBCDQGNOYIKII-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.65
Rot. Bonds5

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

2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol (PubChem CID 12912737) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol
PubChem CID12912737
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol
SMILESCCN1N=C(c2ccccc2Cl)N(CCO)N=C1c1ccccc1Cl
InChIInChI=1S/C18H18Cl2N4O/c1-2-23-17(13-7-3-5-9-15(13)19)22-24(11-12-25)18(21-23)14-8-4-6-10-16(14)20/h3-10,25H,2,11-12H2,1H3
InChIKeyZEBCDQGNOYIKII-UHFFFAOYSA-N
XLogP3.65
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol?
The IUPAC name of 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol (CID 12912737) is 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol.
What is the SMILES notation for 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol?
The canonical SMILES for 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol is CCN1N=C(c2ccccc2Cl)N(CCO)N=C1c1ccccc1Cl.
What is the InChIKey of 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol?
The InChIKey is ZEBCDQGNOYIKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-2-23-17(13-7-3-5-9-15(13)19)22-24(11-12-25)18(21-23)14-8-4-6-10-16(14)20/h3-10,25H,2,11-12H2,1H3.
What are the key properties of 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol?
2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol has a molecular weight of 377.28 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol is sourced from PubChem (CID 12912737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).