6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine

C9H9ClN4 — CID 70608161

IUPAC6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine
SMILESCN1C=NN=C(c2ccccc2Cl)N1
InChIInChI=1S/C9H9ClN4/c1-14-6-11-12-9(13-14)7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)
InChIKeyRNOCUBWRDOLRPT-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.48
Rot. Bonds1

About 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine

6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine (PubChem CID 70608161) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine
PubChem CID70608161
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine
SMILESCN1C=NN=C(c2ccccc2Cl)N1
InChIInChI=1S/C9H9ClN4/c1-14-6-11-12-9(13-14)7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)
InChIKeyRNOCUBWRDOLRPT-UHFFFAOYSA-N
XLogP1.48
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine?
The IUPAC name of 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine (CID 70608161) is 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine.
What is the SMILES notation for 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine?
The canonical SMILES for 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine is CN1C=NN=C(c2ccccc2Cl)N1.
What is the InChIKey of 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine?
The InChIKey is RNOCUBWRDOLRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-14-6-11-12-9(13-14)7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13).
What are the key properties of 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine?
6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine has a molecular weight of 208.65 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-methyl-1H-1,2,4,5-tetrazine is sourced from PubChem (CID 70608161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).