6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine

C11H11Cl2N5S — CID 550900

IUPAC6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine
SMILESCN(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C11H11Cl2N5S/c1-18(2)10-14-16-11(17-15-10)19-6-7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3
InChIKeySVTYNJULQMGFLP-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.93
Rot. Bonds4

About 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine

6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine (PubChem CID 550900) has the molecular formula C11H11Cl2N5S and a molecular weight of 316.22 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine
PubChem CID550900
Molecular FormulaC11H11Cl2N5S
Molecular Weight316.22 g/mol
Exact Mass315.01
IUPAC Name6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine
SMILESCN(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C11H11Cl2N5S/c1-18(2)10-14-16-11(17-15-10)19-6-7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3
InChIKeySVTYNJULQMGFLP-UHFFFAOYSA-N
XLogP2.93
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine (CID 550900) is 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine is CN(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine?
The InChIKey is SVTYNJULQMGFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5S/c1-18(2)10-14-16-11(17-15-10)19-6-7-3-4-8(12)9(13)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine?
6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine has a molecular weight of 316.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 550900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).