3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine

C11H14ClN3 — CID 172772412

IUPAC3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESClc1ccccc1CCN1CN=CNC1
InChIInChI=1S/C11H14ClN3/c12-11-4-2-1-3-10(11)5-6-15-8-13-7-14-9-15/h1-4,7H,5-6,8-9H2,(H,13,14)
InChIKeyNDEZBCSYDAJMIF-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.73
Rot. Bonds3

About 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine

3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 172772412) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine
PubChem CID172772412
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESClc1ccccc1CCN1CN=CNC1
InChIInChI=1S/C11H14ClN3/c12-11-4-2-1-3-10(11)5-6-15-8-13-7-14-9-15/h1-4,7H,5-6,8-9H2,(H,13,14)
InChIKeyNDEZBCSYDAJMIF-UHFFFAOYSA-N
XLogP1.73
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine (CID 172772412) is 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine is Clc1ccccc1CCN1CN=CNC1.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is NDEZBCSYDAJMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-11-4-2-1-3-10(11)5-6-15-8-13-7-14-9-15/h1-4,7H,5-6,8-9H2,(H,13,14).
What are the key properties of 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine?
3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 223.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 172772412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).