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

C9H13Cl2N5O — CID 55124468

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N5O/c1-3-12-6(17)5-16(4-2)9-14-7(10)13-8(11)15-9/h3-5H2,1-2H3,(H,12,17)
InChIKeyNZPRNQUICMFBBI-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.14
Rot. Bonds5

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

2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide (PubChem CID 55124468) has the molecular formula C9H13Cl2N5O and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
PubChem CID55124468
Molecular FormulaC9H13Cl2N5O
Molecular Weight278.14 g/mol
Exact Mass277.05
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N5O/c1-3-12-6(17)5-16(4-2)9-14-7(10)13-8(11)15-9/h3-5H2,1-2H3,(H,12,17)
InChIKeyNZPRNQUICMFBBI-UHFFFAOYSA-N
XLogP1.14
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide (CID 55124468) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is NZPRNQUICMFBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N5O/c1-3-12-6(17)5-16(4-2)9-14-7(10)13-8(11)15-9/h3-5H2,1-2H3,(H,12,17).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 278.14 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 55124468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).