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

C7H8Cl2N4O — CID 154099281

IUPACN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H8Cl2N4O/c1-3-13(4(2)14)7-11-5(8)10-6(9)12-7/h3H2,1-2H3
InChIKeyIGYABDLMNZSMSY-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.55
Rot. Bonds2

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

N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide (PubChem CID 154099281) has the molecular formula C7H8Cl2N4O and a molecular weight of 235.07 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide
PubChem CID154099281
Molecular FormulaC7H8Cl2N4O
Molecular Weight235.07 g/mol
Exact Mass234.01
IUPAC NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H8Cl2N4O/c1-3-13(4(2)14)7-11-5(8)10-6(9)12-7/h3H2,1-2H3
InChIKeyIGYABDLMNZSMSY-UHFFFAOYSA-N
XLogP1.55
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide?
The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide (CID 154099281) is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide.
What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide?
The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide is CCN(C(C)=O)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide?
The InChIKey is IGYABDLMNZSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4O/c1-3-13(4(2)14)7-11-5(8)10-6(9)12-7/h3H2,1-2H3.
What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide?
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide has a molecular weight of 235.07 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide is sourced from PubChem (CID 154099281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).