3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol

C14H11N3O2 — CID 107680810

IUPAC3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol
SMILESCc1cc(O)cc(Oc2nnc3ccccc3n2)c1
InChIInChI=1S/C14H11N3O2/c1-9-6-10(18)8-11(7-9)19-14-15-12-4-2-3-5-13(12)16-17-14/h2-8,18H,1H3
InChIKeyQCXHSVPMJJMMFN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.83
Rot. Bonds2

About 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol

3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol (PubChem CID 107680810) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol.

Molecular Properties

Compound Name3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol
PubChem CID107680810
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol
SMILESCc1cc(O)cc(Oc2nnc3ccccc3n2)c1
InChIInChI=1S/C14H11N3O2/c1-9-6-10(18)8-11(7-9)19-14-15-12-4-2-3-5-13(12)16-17-14/h2-8,18H,1H3
InChIKeyQCXHSVPMJJMMFN-UHFFFAOYSA-N
XLogP2.83
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-pyrimidin-2-yloxyphenol
CID 107680712
4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline
CID 103204561
3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
CID 107680799
3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
CID 107680637
carbononitridic bromide;3-methyl-5-(2H-tetrazol-5-yloxy)phenol
CID 69192699
bis(5-methylbenzene-1,3-diol);quinoxaline
CID 139147357
3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 107680827
benzene-1,3,5-triol;phenazine;hydrate
CID 139145331
2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline
CID 50764074
3-(3-hydroxy-N-[2-(3-hydroxy-5-methylphenoxy)phenyl]-2-methylanilino)-2-methylphenol
CID 101332169
2-[2-(3-hydroxy-5-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
CID 101332109
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol?
The IUPAC name of 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol (CID 107680810) is 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol.
What is the SMILES notation for 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol?
The canonical SMILES for 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol is Cc1cc(O)cc(Oc2nnc3ccccc3n2)c1.
What is the InChIKey of 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol?
The InChIKey is QCXHSVPMJJMMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-6-10(18)8-11(7-9)19-14-15-12-4-2-3-5-13(12)16-17-14/h2-8,18H,1H3.
What are the key properties of 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol?
3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol has a molecular weight of 253.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol is sourced from PubChem (CID 107680810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).