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

C9H7ClFN5 — CID 12852442

IUPAC6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C9H7ClFN5/c10-6-2-1-4(11)3-5(6)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChIKeyNTWUPMAGMIBNRB-UHFFFAOYSA-N
MW239.64 g/mol
LogP1.50
Rot. Bonds1

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

6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 12852442) has the molecular formula C9H7ClFN5 and a molecular weight of 239.64 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID12852442
Molecular FormulaC9H7ClFN5
Molecular Weight239.64 g/mol
Exact Mass239.04
IUPAC Name6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C9H7ClFN5/c10-6-2-1-4(11)3-5(6)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChIKeyNTWUPMAGMIBNRB-UHFFFAOYSA-N
XLogP1.50
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 12852442) is 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NTWUPMAGMIBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN5/c10-6-2-1-4(11)3-5(6)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16).
What are the key properties of 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine?
6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 239.64 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12852442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).