2-(2-chloroethyl)-1,3,5-triazine

C5H6ClN3 — CID 69167815

IUPAC2-(2-chloroethyl)-1,3,5-triazine
SMILESClCCc1ncncn1
InChIInChI=1S/C5H6ClN3/c6-2-1-5-8-3-7-4-9-5/h3-4H,1-2H2
InChIKeyDHDUKTJETXXOQX-UHFFFAOYSA-N
MW143.58 g/mol
LogP0.65
Rot. Bonds2

About 2-(2-chloroethyl)-1,3,5-triazine

2-(2-chloroethyl)-1,3,5-triazine (PubChem CID 69167815) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1,3,5-triazine
PubChem CID69167815
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Name2-(2-chloroethyl)-1,3,5-triazine
SMILESClCCc1ncncn1
InChIInChI=1S/C5H6ClN3/c6-2-1-5-8-3-7-4-9-5/h3-4H,1-2H2
InChIKeyDHDUKTJETXXOQX-UHFFFAOYSA-N
XLogP0.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.58
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1,3,5-triazine?
The IUPAC name of 2-(2-chloroethyl)-1,3,5-triazine (CID 69167815) is 2-(2-chloroethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2-chloroethyl)-1,3,5-triazine?
The canonical SMILES for 2-(2-chloroethyl)-1,3,5-triazine is ClCCc1ncncn1.
What is the InChIKey of 2-(2-chloroethyl)-1,3,5-triazine?
The InChIKey is DHDUKTJETXXOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3/c6-2-1-5-8-3-7-4-9-5/h3-4H,1-2H2.
What are the key properties of 2-(2-chloroethyl)-1,3,5-triazine?
2-(2-chloroethyl)-1,3,5-triazine has a molecular weight of 143.58 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1,3,5-triazine is sourced from PubChem (CID 69167815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).