1,3,5-triazin-2-yl 4-methylbenzoate

C11H9N3O2 — CID 174749363

IUPAC1,3,5-triazin-2-yl 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ncncn2)cc1
InChIInChI=1S/C11H9N3O2/c1-8-2-4-9(5-3-8)10(15)16-11-13-6-12-7-14-11/h2-7H,1H3
InChIKeyFVAPXWGSZUUGKS-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.40
Rot. Bonds2

About 1,3,5-triazin-2-yl 4-methylbenzoate

1,3,5-triazin-2-yl 4-methylbenzoate (PubChem CID 174749363) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1,3,5-triazin-2-yl 4-methylbenzoate.

Molecular Properties

Compound Name1,3,5-triazin-2-yl 4-methylbenzoate
PubChem CID174749363
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name1,3,5-triazin-2-yl 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ncncn2)cc1
InChIInChI=1S/C11H9N3O2/c1-8-2-4-9(5-3-8)10(15)16-11-13-6-12-7-14-11/h2-7H,1H3
InChIKeyFVAPXWGSZUUGKS-UHFFFAOYSA-N
XLogP1.40
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-yl 4-methylbenzoate?
The IUPAC name of 1,3,5-triazin-2-yl 4-methylbenzoate (CID 174749363) is 1,3,5-triazin-2-yl 4-methylbenzoate.
What is the SMILES notation for 1,3,5-triazin-2-yl 4-methylbenzoate?
The canonical SMILES for 1,3,5-triazin-2-yl 4-methylbenzoate is Cc1ccc(C(=O)Oc2ncncn2)cc1.
What is the InChIKey of 1,3,5-triazin-2-yl 4-methylbenzoate?
The InChIKey is FVAPXWGSZUUGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-8-2-4-9(5-3-8)10(15)16-11-13-6-12-7-14-11/h2-7H,1H3.
What are the key properties of 1,3,5-triazin-2-yl 4-methylbenzoate?
1,3,5-triazin-2-yl 4-methylbenzoate has a molecular weight of 215.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-yl 4-methylbenzoate is sourced from PubChem (CID 174749363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).