2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione

C10H9Cl2N3O2 — CID 171984926

IUPAC2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione
SMILESCN1C(=O)CNN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C10H9Cl2N3O2/c1-14-9(16)5-13-15(10(14)17)8-3-2-6(11)4-7(8)12/h2-4,13H,5H2,1H3
InChIKeyDZELVHYECIPBNS-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.90
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione

2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione (PubChem CID 171984926) has the molecular formula C10H9Cl2N3O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione
PubChem CID171984926
Molecular FormulaC10H9Cl2N3O2
Molecular Weight274.11 g/mol
Exact Mass273.01
IUPAC Name2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione
SMILESCN1C(=O)CNN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C10H9Cl2N3O2/c1-14-9(16)5-13-15(10(14)17)8-3-2-6(11)4-7(8)12/h2-4,13H,5H2,1H3
InChIKeyDZELVHYECIPBNS-UHFFFAOYSA-N
XLogP1.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71357247
2-(2,4-dichlorophenyl)-1H-pyrazol-3-one
CID 112656212
1-(2,4-dichlorophenyl)-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-5-oxo-N-propan-2-yl-1,2,4-triazolidine-4-carboxamide
CID 123935812
(4S)-7-chloro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 15266163
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one
CID 124705861
[1-(2,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677197
(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 682977
1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64965226
1-(2,4-dichlorophenyl)-4H-triazol-5-one
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1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione (CID 171984926) is 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione is CN1C(=O)CNN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione?
The InChIKey is DZELVHYECIPBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2/c1-14-9(16)5-13-15(10(14)17)8-3-2-6(11)4-7(8)12/h2-4,13H,5H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione?
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione has a molecular weight of 274.11 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione is sourced from PubChem (CID 171984926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).