4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol

C15H10N4O2 — CID 154402485

IUPAC4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nnc3c4ccccc4cnn23)c(O)c1
InChIInChI=1S/C15H10N4O2/c20-10-5-6-12(13(21)7-10)15-18-17-14-11-4-2-1-3-9(11)8-16-19(14)15/h1-8,20-21H
InChIKeyIUXBDUXXACQUCE-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.36
Rot. Bonds1

About 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol

4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol (PubChem CID 154402485) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
PubChem CID154402485
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nnc3c4ccccc4cnn23)c(O)c1
InChIInChI=1S/C15H10N4O2/c20-10-5-6-12(13(21)7-10)15-18-17-14-11-4-2-1-3-9(11)8-16-19(14)15/h1-8,20-21H
InChIKeyIUXBDUXXACQUCE-UHFFFAOYSA-N
XLogP2.36
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The IUPAC name of 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol (CID 154402485) is 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol is Oc1ccc(-c2nnc3c4ccccc4cnn23)c(O)c1.
What is the InChIKey of 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The InChIKey is IUXBDUXXACQUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-10-5-6-12(13(21)7-10)15-18-17-14-11-4-2-1-3-9(11)8-16-19(14)15/h1-8,20-21H.
What are the key properties of 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol has a molecular weight of 278.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol is sourced from PubChem (CID 154402485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).