6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine

C16H15N5O2 — CID 67365074

IUPAC6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(OC)n1
InChIInChI=1S/C16H15N5O2/c1-22-12-8-11(9-13(18-12)23-2)15-14(19-16(17)21-20-15)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,17,19,21)
InChIKeyBWIRCKWZMRMDQC-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.20
Rot. Bonds4

About 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine

6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 67365074) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID67365074
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(OC)n1
InChIInChI=1S/C16H15N5O2/c1-22-12-8-11(9-13(18-12)23-2)15-14(19-16(17)21-20-15)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,17,19,21)
InChIKeyBWIRCKWZMRMDQC-UHFFFAOYSA-N
XLogP2.20
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53353513
6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353233
6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 135234314
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 159353991
6-methoxy-4-phenylpyridin-2-amine
CID 118992617
6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
CID 67364062
6-(3-methylsulfonylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353331
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
6-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53354631
6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53353419

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine (CID 67365074) is 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine is COc1cc(-c2nnc(N)nc2-c2ccccc2)cc(OC)n1.
What is the InChIKey of 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is BWIRCKWZMRMDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-22-12-8-11(9-13(18-12)23-2)15-14(19-16(17)21-20-15)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,17,19,21).
What are the key properties of 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 309.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 67365074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).