4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine

C9H5Cl3N4 — CID 16763

IUPAC4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine
SMILESC1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)Cl
InChIInChI=1S/C9H5Cl3N4/c10-5-1-3-6(4-2-5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKeyNXESWKOOFSNXRQ-UHFFFAOYSA-N
MW275.50 g/mol
LogP4.40
Rot. Bonds2

About 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine (PubChem CID 16763) has the molecular formula C9H5Cl3N4 and a molecular weight of 275.50 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine
PubChem CID16763
Molecular FormulaC9H5Cl3N4
Molecular Weight275.50 g/mol
Exact Mass273.96
IUPAC Name4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine
SMILESC1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)Cl
InChIInChI=1S/C9H5Cl3N4/c10-5-1-3-6(4-2-5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKeyNXESWKOOFSNXRQ-UHFFFAOYSA-N
XLogP4.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity213

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Anilazine
CID 7541
Chlorazanil
CID 10374
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
N-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 2730248
6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N2-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2729981
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
GUANIDINE, 1-(p-CHLOROPHENYL)-3-(4,6-DIMETHYL-2-PYRIMIDINYL)-
CID 5726586
Chlorazanil Hydrochloride
CID 23616906
N-(3,4-Dichloro-phenyl)-N',N',N'',N''-tetramethyl-[1,3,5]triazine-2,4,6-triamine
CID 766777

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine (CID 16763) is 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine is C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)Cl.
What is the InChIKey of 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is NXESWKOOFSNXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4/c10-5-1-3-6(4-2-5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16).
What are the key properties of 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 275.50 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 16763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).