2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione

C18H15Cl2N3O2 — CID 174446774

IUPAC2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione
SMILESCC(CCl)(c1ccc(Cl)cc1)c1ccc(-n2ncc(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-18(11-19,12-2-6-14(20)7-3-12)13-4-8-15(9-5-13)23-17(25)22-16(24)10-21-23/h2-10H,11H2,1H3,(H,22,24,25)
InChIKeyDMJVQKLXHSFOCJ-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.12
Rot. Bonds4

About 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione

2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 174446774) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID174446774
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione
SMILESCC(CCl)(c1ccc(Cl)cc1)c1ccc(-n2ncc(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-18(11-19,12-2-6-14(20)7-3-12)13-4-8-15(9-5-13)23-17(25)22-16(24)10-21-23/h2-10H,11H2,1H3,(H,22,24,25)
InChIKeyDMJVQKLXHSFOCJ-UHFFFAOYSA-N
XLogP3.12
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

CID 456389
CID 456389
CID 59745
CID 59745
CID 58901
CID 58901
CID 15052913
CID 15052913
CID 25273624
CID 25273624
CID 12846566
CID 12846566
CID 15052914
CID 15052914
CID 12846614
CID 12846614
CID 40575505
CID 40575505
CID 44318975
CID 44318975
CID 76959722
CID 76959722
CID 76959723
CID 76959723

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione (CID 174446774) is 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione is CC(CCl)(c1ccc(Cl)cc1)c1ccc(-n2ncc(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is DMJVQKLXHSFOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-18(11-19,12-2-6-14(20)7-3-12)13-4-8-15(9-5-13)23-17(25)22-16(24)10-21-23/h2-10H,11H2,1H3,(H,22,24,25).
What are the key properties of 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione?
2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 376.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-chloro-2-(4-chlorophenyl)propan-2-yl]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 174446774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).