5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine

C16H16N4 — CID 102265994

IUPAC5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine
SMILESCC1(C)N=C(c2cccnc2)NN=C1c1ccccc1
InChIInChI=1S/C16H16N4/c1-16(2)14(12-7-4-3-5-8-12)19-20-15(18-16)13-9-6-10-17-11-13/h3-11H,1-2H3,(H,18,20)
InChIKeyJCWFWJDYWNZUEY-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.61
Rot. Bonds2

About 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine

5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine (PubChem CID 102265994) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine.

Molecular Properties

Compound Name5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine
PubChem CID102265994
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine
SMILESCC1(C)N=C(c2cccnc2)NN=C1c1ccccc1
InChIInChI=1S/C16H16N4/c1-16(2)14(12-7-4-3-5-8-12)19-20-15(18-16)13-9-6-10-17-11-13/h3-11H,1-2H3,(H,18,20)
InChIKeyJCWFWJDYWNZUEY-UHFFFAOYSA-N
XLogP2.61
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
CID 102265993
3-(4,4-dimethyl-1-oxido-5-phenylimidazol-1-ium-2-yl)pyridine
CID 928089
N,N-dimethyl-4-(2-pyridin-3-yl-3H-1,3,4-benzotriazepin-5-yl)aniline
CID 135542664
3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine
CID 163179161
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine
CID 122224358
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
cyclopenta[c]azepine
CID 638010
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
CID 59649089
10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine?
The IUPAC name of 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine (CID 102265994) is 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine.
What is the SMILES notation for 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine?
The canonical SMILES for 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine is CC1(C)N=C(c2cccnc2)NN=C1c1ccccc1.
What is the InChIKey of 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine?
The InChIKey is JCWFWJDYWNZUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-16(2)14(12-7-4-3-5-8-12)19-20-15(18-16)13-9-6-10-17-11-13/h3-11H,1-2H3,(H,18,20).
What are the key properties of 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine?
5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine has a molecular weight of 264.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-phenyl-3-pyridin-3-yl-2H-1,2,4-triazine is sourced from PubChem (CID 102265994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).