4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H6Cl2FN7 — CID 62863063

IUPAC4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESFc1cc(Cl)ccc1Nc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H6Cl2FN7/c12-6-1-2-8(7(14)3-6)17-10-18-9(13)19-11(20-10)21-5-15-4-16-21/h1-5H,(H,17,18,19,20)
InChIKeyOJJGSMHBMHCRQG-UHFFFAOYSA-N
MW326.12 g/mol
LogP2.64
Rot. Bonds3

About 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62863063) has the molecular formula C11H6Cl2FN7 and a molecular weight of 326.12 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62863063
Molecular FormulaC11H6Cl2FN7
Molecular Weight326.12 g/mol
Exact Mass325.00
IUPAC Name4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESFc1cc(Cl)ccc1Nc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H6Cl2FN7/c12-6-1-2-8(7(14)3-6)17-10-18-9(13)19-11(20-10)21-5-15-4-16-21/h1-5H,(H,17,18,19,20)
InChIKeyOJJGSMHBMHCRQG-UHFFFAOYSA-N
XLogP2.64
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62863063) is 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Fc1cc(Cl)ccc1Nc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is OJJGSMHBMHCRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN7/c12-6-1-2-8(7(14)3-6)17-10-18-9(13)19-11(20-10)21-5-15-4-16-21/h1-5H,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 326.12 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).