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

C9H7ClFN5 — CID 2729981

IUPAC2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C9H7ClFN5/c10-6-3-5(1-2-7(6)11)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
InChIKeyXNZPFTYGNWPRSK-UHFFFAOYSA-N
MW239.64 g/mol
LogP1.99
Rot. Bonds2

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

2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2729981) has the molecular formula C9H7ClFN5 and a molecular weight of 239.64 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2729981
Molecular FormulaC9H7ClFN5
Molecular Weight239.64 g/mol
Exact Mass239.04
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C9H7ClFN5/c10-6-3-5(1-2-7(6)11)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
InChIKeyXNZPFTYGNWPRSK-UHFFFAOYSA-N
XLogP1.99
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 2729981) is 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XNZPFTYGNWPRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN5/c10-6-3-5(1-2-7(6)11)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 239.64 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2729981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).