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

C16H15N5 — CID 56844240

IUPAC6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1
InChIInChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)
InChIKeySORFNYWLKDSNNF-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.80
Rot. Bonds2

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

6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 56844240) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID56844240
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1
InChIInChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)
InChIKeySORFNYWLKDSNNF-UHFFFAOYSA-N
XLogP2.80
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine (CID 56844240) is 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1.
What is the InChIKey of 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is SORFNYWLKDSNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21).
What are the key properties of 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 277.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethyl-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 56844240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).