triazin-4-yl 4-methylbenzoate

C11H9N3O2 — CID 141387968

IUPACtriazin-4-yl 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccnnn2)cc1
InChIInChI=1S/C11H9N3O2/c1-8-2-4-9(5-3-8)11(15)16-10-6-7-12-14-13-10/h2-7H,1H3
InChIKeyVBZJTTSSXSQLKW-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.40
Rot. Bonds2

About triazin-4-yl 4-methylbenzoate

triazin-4-yl 4-methylbenzoate (PubChem CID 141387968) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is triazin-4-yl 4-methylbenzoate.

Molecular Properties

Compound Nametriazin-4-yl 4-methylbenzoate
PubChem CID141387968
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Nametriazin-4-yl 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccnnn2)cc1
InChIInChI=1S/C11H9N3O2/c1-8-2-4-9(5-3-8)11(15)16-10-6-7-12-14-13-10/h2-7H,1H3
InChIKeyVBZJTTSSXSQLKW-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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Related Compounds

pyridin-4-yl 4-methylbenzoate
CID 12624128
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
1,3,5-triazin-2-yl 4-methylbenzoate
CID 174749363
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
carboxy 4-methylbenzenecarboperoxoate
CID 18373615
carbonofluoridoyl 4-methylbenzoate
CID 143461298
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
[4-[2-[4-(4-methylbenzoyl)oxyphenyl]ethynyl]phenyl] 4-methylbenzoate
CID 170244704

Frequently Asked Questions

What is the IUPAC name of triazin-4-yl 4-methylbenzoate?
The IUPAC name of triazin-4-yl 4-methylbenzoate (CID 141387968) is triazin-4-yl 4-methylbenzoate.
What is the SMILES notation for triazin-4-yl 4-methylbenzoate?
The canonical SMILES for triazin-4-yl 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccnnn2)cc1.
What is the InChIKey of triazin-4-yl 4-methylbenzoate?
The InChIKey is VBZJTTSSXSQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-8-2-4-9(5-3-8)11(15)16-10-6-7-12-14-13-10/h2-7H,1H3.
What are the key properties of triazin-4-yl 4-methylbenzoate?
triazin-4-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 triazin-4-yl 4-methylbenzoate is sourced from PubChem (CID 141387968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).