6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine

C8H5Cl2FN6 — CID 58103120

IUPAC6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cc(F)c(Cl)nc2Cl)c(N)n1
InChIInChI=1S/C8H5Cl2FN6/c9-5-2(1-3(11)6(10)14-5)4-7(12)15-8(13)17-16-4/h1H,(H4,12,13,15,17)
InChIKeyQZCHGZKTFUZXBL-UHFFFAOYSA-N
MW275.07 g/mol
LogP1.54
Rot. Bonds1

About 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine

6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine (PubChem CID 58103120) has the molecular formula C8H5Cl2FN6 and a molecular weight of 275.07 g/mol. Its IUPAC name is 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
PubChem CID58103120
Molecular FormulaC8H5Cl2FN6
Molecular Weight275.07 g/mol
Exact Mass273.99
IUPAC Name6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cc(F)c(Cl)nc2Cl)c(N)n1
InChIInChI=1S/C8H5Cl2FN6/c9-5-2(1-3(11)6(10)14-5)4-7(12)15-8(13)17-16-4/h1H,(H4,12,13,15,17)
InChIKeyQZCHGZKTFUZXBL-UHFFFAOYSA-N
XLogP1.54
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.07
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine (CID 58103120) is 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2cc(F)c(Cl)nc2Cl)c(N)n1.
What is the InChIKey of 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is QZCHGZKTFUZXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FN6/c9-5-2(1-3(11)6(10)14-5)4-7(12)15-8(13)17-16-4/h1H,(H4,12,13,15,17).
What are the key properties of 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine?
6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 275.07 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 58103120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).