4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine

C19H18Cl2N4 — CID 86211852

IUPAC4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine
SMILESCCN(CC)c1c(-c2ccc(Cl)cc2)nnnc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N4/c1-3-25(4-2)19-17(13-5-9-15(20)10-6-13)22-24-23-18(19)14-7-11-16(21)12-8-14/h5-12H,3-4H2,1-2H3
InChIKeyUGOKZWAWKPRPGI-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.36
Rot. Bonds5

About 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine

4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine (PubChem CID 86211852) has the molecular formula C19H18Cl2N4 and a molecular weight of 373.29 g/mol. Its IUPAC name is 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine.

Molecular Properties

Compound Name4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine
PubChem CID86211852
Molecular FormulaC19H18Cl2N4
Molecular Weight373.29 g/mol
Exact Mass372.09
IUPAC Name4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine
SMILESCCN(CC)c1c(-c2ccc(Cl)cc2)nnnc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N4/c1-3-25(4-2)19-17(13-5-9-15(20)10-6-13)22-24-23-18(19)14-7-11-16(21)12-8-14/h5-12H,3-4H2,1-2H3
InChIKeyUGOKZWAWKPRPGI-UHFFFAOYSA-N
XLogP5.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine?
The IUPAC name of 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine (CID 86211852) is 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine.
What is the SMILES notation for 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine?
The canonical SMILES for 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine is CCN(CC)c1c(-c2ccc(Cl)cc2)nnnc1-c1ccc(Cl)cc1.
What is the InChIKey of 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine?
The InChIKey is UGOKZWAWKPRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4/c1-3-25(4-2)19-17(13-5-9-15(20)10-6-13)22-24-23-18(19)14-7-11-16(21)12-8-14/h5-12H,3-4H2,1-2H3.
What are the key properties of 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine?
4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine has a molecular weight of 373.29 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine is sourced from PubChem (CID 86211852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).