5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine

C16H11Cl2N3OS — CID 11079014

IUPAC5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine
SMILESCS(=O)c1nncc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C16H11Cl2N3OS/c1-23(22)16-20-15(9-19-21-16)11-4-2-10(3-5-11)13-7-6-12(17)8-14(13)18/h2-9H,1H3
InChIKeyPCKKEVWUDYHVDH-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.25
Rot. Bonds3

About 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine

5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine (PubChem CID 11079014) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine.

Molecular Properties

Compound Name5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine
PubChem CID11079014
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine
SMILESCS(=O)c1nncc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C16H11Cl2N3OS/c1-23(22)16-20-15(9-19-21-16)11-4-2-10(3-5-11)13-7-6-12(17)8-14(13)18/h2-9H,1H3
InChIKeyPCKKEVWUDYHVDH-UHFFFAOYSA-N
XLogP4.25
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-3-methylpyridazine
CID 11958263
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
5-(2,4-dichlorophenyl)-2-methylpyridine
CID 57069565
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine
CID 10924717
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine
CID 22951026
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410895
(Z)-3-[4-(2,4-dichlorophenyl)phenyl]but-2-enoic acid
CID 21322547

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine?
The IUPAC name of 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine (CID 11079014) is 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine.
What is the SMILES notation for 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine?
The canonical SMILES for 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine is CS(=O)c1nncc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n1.
What is the InChIKey of 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine?
The InChIKey is PCKKEVWUDYHVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c1-23(22)16-20-15(9-19-21-16)11-4-2-10(3-5-11)13-7-6-12(17)8-14(13)18/h2-9H,1H3.
What are the key properties of 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine?
5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine has a molecular weight of 364.26 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dichlorophenyl)phenyl]-3-methylsulfinyl-1,2,4-triazine is sourced from PubChem (CID 11079014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).