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

C9H8ClN5 — CID 2730248

IUPAC2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C9H8ClN5/c10-6-3-1-2-4-7(6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKeyKKDOZPQOEFYIRU-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.85
Rot. Bonds2

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

2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2730248) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2730248
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC Name2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C9H8ClN5/c10-6-3-1-2-4-7(6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKeyKKDOZPQOEFYIRU-UHFFFAOYSA-N
XLogP1.85
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 2730248) is 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KKDOZPQOEFYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c10-6-3-1-2-4-7(6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15).
What are the key properties of 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 221.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2730248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).