6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine

C15H10ClF2N5 — CID 87371295

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2cc(F)ccc2F)cc(Cl)n1
InChIInChI=1S/C15H10ClF2N5/c1-7-4-8(5-12(16)20-7)13-14(21-15(19)23-22-13)10-6-9(17)2-3-11(10)18/h2-6H,1H3,(H2,19,21,23)
InChIKeyCJMZQEWZWDXVRC-UHFFFAOYSA-N
MW333.73 g/mol
LogP3.42
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine

6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 87371295) has the molecular formula C15H10ClF2N5 and a molecular weight of 333.73 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine
PubChem CID87371295
Molecular FormulaC15H10ClF2N5
Molecular Weight333.73 g/mol
Exact Mass333.06
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2cc(F)ccc2F)cc(Cl)n1
InChIInChI=1S/C15H10ClF2N5/c1-7-4-8(5-12(16)20-7)13-14(21-15(19)23-22-13)10-6-9(17)2-3-11(10)18/h2-6H,1H3,(H2,19,21,23)
InChIKeyCJMZQEWZWDXVRC-UHFFFAOYSA-N
XLogP3.42
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine (CID 87371295) is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2cc(F)ccc2F)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is CJMZQEWZWDXVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N5/c1-7-4-8(5-12(16)20-7)13-14(21-15(19)23-22-13)10-6-9(17)2-3-11(10)18/h2-6H,1H3,(H2,19,21,23).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine?
6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 333.73 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 87371295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).