1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione

C4H6ClN3O2 — CID 170447600

IUPAC1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(C)n(Cl)c1=O
InChIInChI=1S/C4H6ClN3O2/c1-6-3(9)7(2)8(5)4(6)10/h1-2H3
InChIKeyJZWXUGUSNIRIQF-UHFFFAOYSA-N
MW163.56 g/mol
LogP-1.11
Rot. Bonds

About 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione

1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione (PubChem CID 170447600) has the molecular formula C4H6ClN3O2 and a molecular weight of 163.56 g/mol. Its IUPAC name is 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
PubChem CID170447600
Molecular FormulaC4H6ClN3O2
Molecular Weight163.56 g/mol
Exact Mass163.01
IUPAC Name1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(C)n(Cl)c1=O
InChIInChI=1S/C4H6ClN3O2/c1-6-3(9)7(2)8(5)4(6)10/h1-2H3
InChIKeyJZWXUGUSNIRIQF-UHFFFAOYSA-N
XLogP-1.11
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.56
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione (CID 170447600) is 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione is Cn1c(=O)n(C)n(Cl)c1=O.
What is the InChIKey of 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is JZWXUGUSNIRIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3O2/c1-6-3(9)7(2)8(5)4(6)10/h1-2H3.
What are the key properties of 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione?
1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 163.56 g/mol, XLogP of -1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dimethyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 170447600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).