2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C16H9F3N4O2 — CID 156637169

IUPAC2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c2nc(-c3ccc(O)cc3)nn12
InChIInChI=1S/C16H9F3N4O2/c17-16(18,19)9-3-6-11-12(7-9)20-15(25)23-14(11)21-13(22-23)8-1-4-10(24)5-2-8/h1-7,24H,(H,20,25)
InChIKeyUXRXCOGFCHQMQN-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.96
Rot. Bonds1

About 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 156637169) has the molecular formula C16H9F3N4O2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID156637169
Molecular FormulaC16H9F3N4O2
Molecular Weight346.27 g/mol
Exact Mass346.07
IUPAC Name2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c2nc(-c3ccc(O)cc3)nn12
InChIInChI=1S/C16H9F3N4O2/c17-16(18,19)9-3-6-11-12(7-9)20-15(25)23-14(11)21-13(22-23)8-1-4-10(24)5-2-8/h1-7,24H,(H,20,25)
InChIKeyUXRXCOGFCHQMQN-UHFFFAOYSA-N
XLogP2.96
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-chloro-2-(4-hydroxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)one
CID 135736241
2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 135518126
2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135495513
4-[[6-[3-(Trifluoromethyl)anilino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339003
4-(5-(3-(Trifluoromethyl)phenylamino)-4H-1,2,4-triazol-3-yl)phenol
CID 135741297
2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135976804
2-[2-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156067929
2-(4-methoxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074199
7-fluoro-2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074229
2-[5-fluoro-2-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074251
2-[3-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074293
2-[4-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074294

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 156637169) is 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2cc(C(F)(F)F)ccc2c2nc(-c3ccc(O)cc3)nn12.
What is the InChIKey of 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is UXRXCOGFCHQMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O2/c17-16(18,19)9-3-6-11-12(7-9)20-15(25)23-14(11)21-13(22-23)8-1-4-10(24)5-2-8/h1-7,24H,(H,20,25).
What are the key properties of 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 346.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 156637169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).