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

C7H8Cl2N4O2 — CID 88825001

IUPACN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C7H8Cl2N4O2/c1-3-13(5(9)14)6-10-4(8)11-7(12-6)15-2/h3H2,1-2H3
InChIKeyZEMLWNCZRVFNNJ-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.72
Rot. Bonds3

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

N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride (PubChem CID 88825001) has the molecular formula C7H8Cl2N4O2 and a molecular weight of 251.07 g/mol. Its IUPAC name is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride.

Molecular Properties

Compound NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride
PubChem CID88825001
Molecular FormulaC7H8Cl2N4O2
Molecular Weight251.07 g/mol
Exact Mass250.00
IUPAC NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C7H8Cl2N4O2/c1-3-13(5(9)14)6-10-4(8)11-7(12-6)15-2/h3H2,1-2H3
InChIKeyZEMLWNCZRVFNNJ-UHFFFAOYSA-N
XLogP1.72
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride?
The IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride (CID 88825001) is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride.
What is the SMILES notation for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride?
The canonical SMILES for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride is CCN(C(=O)Cl)c1nc(Cl)nc(OC)n1.
What is the InChIKey of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride?
The InChIKey is ZEMLWNCZRVFNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4O2/c1-3-13(5(9)14)6-10-4(8)11-7(12-6)15-2/h3H2,1-2H3.
What are the key properties of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride?
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride has a molecular weight of 251.07 g/mol, XLogP of 1.72, 3 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-ethylcarbamoyl chloride is sourced from PubChem (CID 88825001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).