3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine

C14H8Cl2N4 — CID 849920

IUPAC3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine
SMILESClc1ccc(-c2nnc(-c3ccccc3Cl)nn2)cc1
InChIInChI=1S/C14H8Cl2N4/c15-10-7-5-9(6-8-10)13-17-19-14(20-18-13)11-3-1-2-4-12(11)16/h1-8H
InChIKeyVCRZGZFCUOINSP-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.91
Rot. Bonds2

About 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine

3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine (PubChem CID 849920) has the molecular formula C14H8Cl2N4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine
PubChem CID849920
Molecular FormulaC14H8Cl2N4
Molecular Weight303.15 g/mol
Exact Mass302.01
IUPAC Name3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine
SMILESClc1ccc(-c2nnc(-c3ccccc3Cl)nn2)cc1
InChIInChI=1S/C14H8Cl2N4/c15-10-7-5-9(6-8-10)13-17-19-14(20-18-13)11-3-1-2-4-12(11)16/h1-8H
InChIKeyVCRZGZFCUOINSP-UHFFFAOYSA-N
XLogP3.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
CID 175257983
2-(2-chlorophenyl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155151395
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
CID 25110809
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
chlorobenzene;1,2-dichlorobenzene
CID 22250607
1-(4-chlorophenyl)-3,4-dihydroisoquinoline
CID 14998904
2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 163296684
4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170004607
3-(2-chlorophenyl)-6-(cyclohexylmethyl)-1,2,4,5-tetrazine
CID 70578729

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine?
The IUPAC name of 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine (CID 849920) is 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine is Clc1ccc(-c2nnc(-c3ccccc3Cl)nn2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine?
The InChIKey is VCRZGZFCUOINSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4/c15-10-7-5-9(6-8-10)13-17-19-14(20-18-13)11-3-1-2-4-12(11)16/h1-8H.
What are the key properties of 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine?
3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine has a molecular weight of 303.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 849920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).