6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine

C9H7Cl2N5 — CID 72547281

IUPAC6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2ccccc2Cl)n1
InChIInChI=1S/C9H7Cl2N5/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
InChIKeyITNNODRWJJLQAF-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.50
Rot. Bonds2

About 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 72547281) has the molecular formula C9H7Cl2N5 and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID72547281
Molecular FormulaC9H7Cl2N5
Molecular Weight256.10 g/mol
Exact Mass255.01
IUPAC Name6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2ccccc2Cl)n1
InChIInChI=1S/C9H7Cl2N5/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
InChIKeyITNNODRWJJLQAF-UHFFFAOYSA-N
XLogP2.50
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 72547281) is 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(Nc2ccccc2Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ITNNODRWJJLQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H3,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 256.10 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 72547281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).