1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine

C18H20ClN3O — CID 43854026

IUPAC1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine
SMILESCOCCN1CN=C(c2ccccc2)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O/c1-23-12-11-21-13-20-18(15-5-3-2-4-6-15)22(14-21)17-9-7-16(19)8-10-17/h2-10H,11-14H2,1H3
InChIKeyXHAXFUYWFWKPNP-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine

1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine (PubChem CID 43854026) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine
PubChem CID43854026
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine
SMILESCOCCN1CN=C(c2ccccc2)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O/c1-23-12-11-21-13-20-18(15-5-3-2-4-6-15)22(14-21)17-9-7-16(19)8-10-17/h2-10H,11-14H2,1H3
InChIKeyXHAXFUYWFWKPNP-UHFFFAOYSA-N
XLogP3.47
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine (CID 43854026) is 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine is COCCN1CN=C(c2ccccc2)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine?
The InChIKey is XHAXFUYWFWKPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-23-12-11-21-13-20-18(15-5-3-2-4-6-15)22(14-21)17-9-7-16(19)8-10-17/h2-10H,11-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine?
1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine has a molecular weight of 329.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methoxyethyl)-6-phenyl-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 43854026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).