3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C15H10N4O2 — CID 135439478

IUPAC3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccc(O)cc2)n[nH]c2nc3ccccc3n12
InChIInChI=1S/C15H10N4O2/c20-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)16-15(19)18-17-13/h1-8,20H,(H,16,18)
InChIKeyCQXMRLNWXNWPSV-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.94
Rot. Bonds1

About 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one

3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 135439478) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID135439478
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccc(O)cc2)n[nH]c2nc3ccccc3n12
InChIInChI=1S/C15H10N4O2/c20-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)16-15(19)18-17-13/h1-8,20H,(H,16,18)
InChIKeyCQXMRLNWXNWPSV-UHFFFAOYSA-N
XLogP1.94
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 135439478) is 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccc(O)cc2)n[nH]c2nc3ccccc3n12.
What is the InChIKey of 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is CQXMRLNWXNWPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)16-15(19)18-17-13/h1-8,20H,(H,16,18).
What are the key properties of 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 278.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 135439478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).