5-methyl-3-phenyl-1,2,4-triazine

C10H9N3 — CID 59956311

IUPAC5-methyl-3-phenyl-1,2,4-triazine
SMILESCc1cnnc(-c2ccccc2)n1
InChIInChI=1S/C10H9N3/c1-8-7-11-13-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyFJHBLWNXYZAYKQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.85
Rot. Bonds1

About 5-methyl-3-phenyl-1,2,4-triazine

5-methyl-3-phenyl-1,2,4-triazine (PubChem CID 59956311) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name5-methyl-3-phenyl-1,2,4-triazine
PubChem CID59956311
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name5-methyl-3-phenyl-1,2,4-triazine
SMILESCc1cnnc(-c2ccccc2)n1
InChIInChI=1S/C10H9N3/c1-8-7-11-13-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyFJHBLWNXYZAYKQ-UHFFFAOYSA-N
XLogP1.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-1,2,4-triazine?
The IUPAC name of 5-methyl-3-phenyl-1,2,4-triazine (CID 59956311) is 5-methyl-3-phenyl-1,2,4-triazine.
What is the SMILES notation for 5-methyl-3-phenyl-1,2,4-triazine?
The canonical SMILES for 5-methyl-3-phenyl-1,2,4-triazine is Cc1cnnc(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-3-phenyl-1,2,4-triazine?
The InChIKey is FJHBLWNXYZAYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-8-7-11-13-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-methyl-3-phenyl-1,2,4-triazine?
5-methyl-3-phenyl-1,2,4-triazine has a molecular weight of 171.20 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-1,2,4-triazine is sourced from PubChem (CID 59956311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).