N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide

C7H9ClN4O2 — CID 132541293

IUPACN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide
SMILESCOc1nc(Cl)nc(N(C)C(C)=O)n1
InChIInChI=1S/C7H9ClN4O2/c1-4(13)12(2)6-9-5(8)10-7(11-6)14-3/h1-3H3
InChIKeyIRBQUKSQOOPKOH-UHFFFAOYSA-N
MW216.63 g/mol
LogP0.52
Rot. Bonds2

About N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide

N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide (PubChem CID 132541293) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide
PubChem CID132541293
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide
SMILESCOc1nc(Cl)nc(N(C)C(C)=O)n1
InChIInChI=1S/C7H9ClN4O2/c1-4(13)12(2)6-9-5(8)10-7(11-6)14-3/h1-3H3
InChIKeyIRBQUKSQOOPKOH-UHFFFAOYSA-N
XLogP0.52
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide 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 N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide?
The IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide (CID 132541293) is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide is COc1nc(Cl)nc(N(C)C(C)=O)n1.
What is the InChIKey of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide?
The InChIKey is IRBQUKSQOOPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c1-4(13)12(2)6-9-5(8)10-7(11-6)14-3/h1-3H3.
What are the key properties of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide?
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide has a molecular weight of 216.63 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 132541293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).