3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine

C14H13N5 — CID 5308515

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine
SMILESCc1cc(C)n(-c2ncc(-c3ccccc3)nn2)n1
InChIInChI=1S/C14H13N5/c1-10-8-11(2)19(18-10)14-15-9-13(16-17-14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyIBSXVYQNYNKOMC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.34
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine

3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine (PubChem CID 5308515) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine
PubChem CID5308515
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine
SMILESCc1cc(C)n(-c2ncc(-c3ccccc3)nn2)n1
InChIInChI=1S/C14H13N5/c1-10-8-11(2)19(18-10)14-15-9-13(16-17-14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyIBSXVYQNYNKOMC-UHFFFAOYSA-N
XLogP2.34
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine (CID 5308515) is 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine is Cc1cc(C)n(-c2ncc(-c3ccccc3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine?
The InChIKey is IBSXVYQNYNKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-10-8-11(2)19(18-10)14-15-9-13(16-17-14)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine?
3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine has a molecular weight of 251.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine is sourced from PubChem (CID 5308515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).