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

C16H14Cl2N4O — CID 12912720

IUPAC2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol
SMILESOCCN1NC(c2ccccc2Cl)=NN=C1c1ccccc1Cl
InChIInChI=1S/C16H14Cl2N4O/c17-13-7-3-1-5-11(13)15-19-20-16(22(21-15)9-10-23)12-6-2-4-8-14(12)18/h1-8,23H,9-10H2,(H,19,21)
InChIKeyNDTDJGMTKWQXSH-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.91
Rot. Bonds4

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

2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol (PubChem CID 12912720) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol
PubChem CID12912720
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol
SMILESOCCN1NC(c2ccccc2Cl)=NN=C1c1ccccc1Cl
InChIInChI=1S/C16H14Cl2N4O/c17-13-7-3-1-5-11(13)15-19-20-16(22(21-15)9-10-23)12-6-2-4-8-14(12)18/h1-8,23H,9-10H2,(H,19,21)
InChIKeyNDTDJGMTKWQXSH-UHFFFAOYSA-N
XLogP2.91
TPSA60.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine
CID 70608161
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CID 18798287
2,6-dichloro-4-(2-chlorophenyl)-1H-triazine
CID 162681210
3-(2-chlorophenyl)-5-ethyl-1-methylpyrazole
CID 70791545
1-chloro-2-phenylbenzene;phosphorous acid
CID 174579348
4-(2-chlorophenyl)triazine
CID 22902708
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanol
CID 117167800
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
CID 82205745
5-(2-chlorophenyl)-1-(2-hydroxyethyl)-7-isocyanato-3,3-dimethyl-1,4-benzodiazepin-2-one
CID 20506184
5-(2-chlorophenyl)-3-methyltriazole-4-carboxylic acid
CID 105499694
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol?
The IUPAC name of 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol (CID 12912720) is 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol.
What is the SMILES notation for 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol?
The canonical SMILES for 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol is OCCN1NC(c2ccccc2Cl)=NN=C1c1ccccc1Cl.
What is the InChIKey of 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol?
The InChIKey is NDTDJGMTKWQXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c17-13-7-3-1-5-11(13)15-19-20-16(22(21-15)9-10-23)12-6-2-4-8-14(12)18/h1-8,23H,9-10H2,(H,19,21).
What are the key properties of 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol?
2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol has a molecular weight of 349.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(2-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanol is sourced from PubChem (CID 12912720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).