benzene-1,3-diol;4-phenyltriazine

C15H13N3O2 — CID 174969661

IUPACbenzene-1,3-diol;4-phenyltriazine
SMILESOc1cccc(O)c1.c1ccc(-c2ccnnn2)cc1
InChIInChI=1S/C9H7N3.C6H6O2/c1-2-4-8(5-3-1)9-6-7-10-12-11-9;7-5-2-1-3-6(8)4-5/h1-7H;1-4,7-8H
InChIKeyHGRRBNDCJHJALQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.64
Rot. Bonds1

About benzene-1,3-diol;4-phenyltriazine

benzene-1,3-diol;4-phenyltriazine (PubChem CID 174969661) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is benzene-1,3-diol;4-phenyltriazine.

Molecular Properties

Compound Namebenzene-1,3-diol;4-phenyltriazine
PubChem CID174969661
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namebenzene-1,3-diol;4-phenyltriazine
SMILESOc1cccc(O)c1.c1ccc(-c2ccnnn2)cc1
InChIInChI=1S/C9H7N3.C6H6O2/c1-2-4-8(5-3-1)9-6-7-10-12-11-9;7-5-2-1-3-6(8)4-5/h1-7H;1-4,7-8H
InChIKeyHGRRBNDCJHJALQ-UHFFFAOYSA-N
XLogP2.64
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;4-phenyltriazine?
The IUPAC name of benzene-1,3-diol;4-phenyltriazine (CID 174969661) is benzene-1,3-diol;4-phenyltriazine.
What is the SMILES notation for benzene-1,3-diol;4-phenyltriazine?
The canonical SMILES for benzene-1,3-diol;4-phenyltriazine is Oc1cccc(O)c1.c1ccc(-c2ccnnn2)cc1.
What is the InChIKey of benzene-1,3-diol;4-phenyltriazine?
The InChIKey is HGRRBNDCJHJALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3.C6H6O2/c1-2-4-8(5-3-1)9-6-7-10-12-11-9;7-5-2-1-3-6(8)4-5/h1-7H;1-4,7-8H.
What are the key properties of benzene-1,3-diol;4-phenyltriazine?
benzene-1,3-diol;4-phenyltriazine has a molecular weight of 267.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;4-phenyltriazine is sourced from PubChem (CID 174969661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).