2,4-dichloro-1,3,5-triazine;dihydrate

C3H5Cl2N3O2 — CID 141125411

IUPAC2,4-dichloro-1,3,5-triazine;dihydrate
SMILESClc1ncnc(Cl)n1.O.O
InChIInChI=1S/C3HCl2N3.2H2O/c4-2-6-1-7-3(5)8-2;;/h1H;2*1H2
InChIKeyKDYHXLFDPUTZEZ-UHFFFAOYSA-N
MW186.00 g/mol
LogP-0.47
Rot. Bonds

About 2,4-dichloro-1,3,5-triazine;dihydrate

2,4-dichloro-1,3,5-triazine;dihydrate (PubChem CID 141125411) has the molecular formula C3H5Cl2N3O2 and a molecular weight of 186.00 g/mol. Its IUPAC name is 2,4-dichloro-1,3,5-triazine;dihydrate.

Molecular Properties

Compound Name2,4-dichloro-1,3,5-triazine;dihydrate
PubChem CID141125411
Molecular FormulaC3H5Cl2N3O2
Molecular Weight186.00 g/mol
Exact Mass184.98
IUPAC Name2,4-dichloro-1,3,5-triazine;dihydrate
SMILESClc1ncnc(Cl)n1.O.O
InChIInChI=1S/C3HCl2N3.2H2O/c4-2-6-1-7-3(5)8-2;;/h1H;2*1H2
InChIKeyKDYHXLFDPUTZEZ-UHFFFAOYSA-N
XLogP-0.47
TPSA101.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.00
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-1,3,5-triazine
CID 17810
2-Chloro-1,3,5-triazine
CID 5215566
1,3,5-Triazine hydrochloride
CID 17876122
Water s-triazine
CID 21798619
1-Hydroxy-1,3,5-triazin-1-ium
CID 123616334
Azane;2-chloro-1,3,5-triazine
CID 20321495
2,4-Dichloro-1,3,5-triazine;dihydroxy(oxo)phosphanium
CID 21322789
1,3,5-Triazine;trihydrochloride
CID 21844756
Sulfurous acid;1,3,5-triazine
CID 23033120
4-Chloro-1-oxido-1,3,5-triazin-1-ium
CID 54079427
1,3,5-Trihydroxy-1,3,5-triazine-1,3,5-triium
CID 57126185
2,4-Dichloro-6-deuterio-1,3,5-triazine
CID 60109603

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,3,5-triazine;dihydrate?
The IUPAC name of 2,4-dichloro-1,3,5-triazine;dihydrate (CID 141125411) is 2,4-dichloro-1,3,5-triazine;dihydrate.
What is the SMILES notation for 2,4-dichloro-1,3,5-triazine;dihydrate?
The canonical SMILES for 2,4-dichloro-1,3,5-triazine;dihydrate is Clc1ncnc(Cl)n1.O.O.
What is the InChIKey of 2,4-dichloro-1,3,5-triazine;dihydrate?
The InChIKey is KDYHXLFDPUTZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2N3.2H2O/c4-2-6-1-7-3(5)8-2;;/h1H;2*1H2.
What are the key properties of 2,4-dichloro-1,3,5-triazine;dihydrate?
2,4-dichloro-1,3,5-triazine;dihydrate has a molecular weight of 186.00 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,3,5-triazine;dihydrate is sourced from PubChem (CID 141125411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).