4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one

C9H6Cl2N4O — CID 135554432

IUPAC4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one
SMILESNc1nc(-c2cc(Cl)ccc2Cl)[nH]c(=O)n1
InChIInChI=1S/C9H6Cl2N4O/c10-4-1-2-6(11)5(3-4)7-13-8(12)15-9(16)14-7/h1-3H,(H3,12,13,14,15,16)
InChIKeyLIUAWCQCHQAWLT-UHFFFAOYSA-N
MW257.08 g/mol
LogP1.72
Rot. Bonds1

About 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one

4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one (PubChem CID 135554432) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one
PubChem CID135554432
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC Name4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one
SMILESNc1nc(-c2cc(Cl)ccc2Cl)[nH]c(=O)n1
InChIInChI=1S/C9H6Cl2N4O/c10-4-1-2-6(11)5(3-4)7-13-8(12)15-9(16)14-7/h1-3H,(H3,12,13,14,15,16)
InChIKeyLIUAWCQCHQAWLT-UHFFFAOYSA-N
XLogP1.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one (CID 135554432) is 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one is Nc1nc(-c2cc(Cl)ccc2Cl)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one?
The InChIKey is LIUAWCQCHQAWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c10-4-1-2-6(11)5(3-4)7-13-8(12)15-9(16)14-7/h1-3H,(H3,12,13,14,15,16).
What are the key properties of 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one?
4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one has a molecular weight of 257.08 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135554432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).