ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate

C6H6Cl2N4O2 — CID 12803246

IUPACethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H6Cl2N4O2/c1-2-14-6(13)12-5-10-3(7)9-4(8)11-5/h2H2,1H3,(H,9,10,11,12,13)
InChIKeyQBIMNCBCWAVIDR-UHFFFAOYSA-N
MW237.05 g/mol
LogP1.75
Rot. Bonds2

About ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate

ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate (PubChem CID 12803246) has the molecular formula C6H6Cl2N4O2 and a molecular weight of 237.05 g/mol. Its IUPAC name is ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
PubChem CID12803246
Molecular FormulaC6H6Cl2N4O2
Molecular Weight237.05 g/mol
Exact Mass235.99
IUPAC Nameethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H6Cl2N4O2/c1-2-14-6(13)12-5-10-3(7)9-4(8)11-5/h2H2,1H3,(H,9,10,11,12,13)
InChIKeyQBIMNCBCWAVIDR-UHFFFAOYSA-N
XLogP1.75
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate (CID 12803246) is ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate is CCOC(=O)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate?
The InChIKey is QBIMNCBCWAVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N4O2/c1-2-14-6(13)12-5-10-3(7)9-4(8)11-5/h2H2,1H3,(H,9,10,11,12,13).
What are the key properties of ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate?
ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate has a molecular weight of 237.05 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 12803246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).