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

C14H10Cl2N4 — CID 12912717

IUPAC3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESClc1ccccc1C1=NNC(c2ccccc2Cl)=NN1
InChIInChI=1S/C14H10Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20)
InChIKeyDMOSPPXFAKVBOQ-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.21
Rot. Bonds2

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

3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 12912717) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID12912717
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESClc1ccccc1C1=NNC(c2ccccc2Cl)=NN1
InChIInChI=1S/C14H10Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20)
InChIKeyDMOSPPXFAKVBOQ-UHFFFAOYSA-N
XLogP3.21
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (CID 12912717) is 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is Clc1ccccc1C1=NNC(c2ccccc2Cl)=NN1.
What is the InChIKey of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is DMOSPPXFAKVBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 305.17 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 12912717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).