4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine

C9H6Cl2N4 — CID 16766

IUPAC4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C9H6Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h1-5H,(H,12,13,14,15)
InChIKeySACFASUHQGNXOD-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.92
Rot. Bonds2

About 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine

4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 16766) has the molecular formula C9H6Cl2N4 and a molecular weight of 241.08 g/mol. Its IUPAC name is 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
PubChem CID16766
Molecular FormulaC9H6Cl2N4
Molecular Weight241.08 g/mol
Exact Mass240.00
IUPAC Name4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C9H6Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h1-5H,(H,12,13,14,15)
InChIKeySACFASUHQGNXOD-UHFFFAOYSA-N
XLogP2.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Anilazine
CID 7541
Chlorazanil
CID 10374
Amanozine
CID 10832
Melarsen oxide
CID 30830
Melarsomine Dihydrochloride
CID 123720
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34942
Benzenesulfonamide, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
CID 10018880
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
CID 9714
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
Stk064997
CID 778562
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine (CID 16766) is 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is SACFASUHQGNXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h1-5H,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 241.08 g/mol, XLogP of 2.92, 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-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 16766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).