2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline

C16H9F3N4O — CID 175738814

IUPAC2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESFC(F)(F)Oc1cccc(-c2nc3c4ccccc4ncn3n2)c1
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)24-11-5-3-4-10(8-11)14-21-15-12-6-1-2-7-13(12)20-9-23(15)22-14/h1-9H
InChIKeyQNHXAWWAYBRYOD-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.84
Rot. Bonds2

About 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175738814) has the molecular formula C16H9F3N4O and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175738814
Molecular FormulaC16H9F3N4O
Molecular Weight330.27 g/mol
Exact Mass330.07
IUPAC Name2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESFC(F)(F)Oc1cccc(-c2nc3c4ccccc4ncn3n2)c1
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)24-11-5-3-4-10(8-11)14-21-15-12-6-1-2-7-13(12)20-9-23(15)22-14/h1-9H
InChIKeyQNHXAWWAYBRYOD-UHFFFAOYSA-N
XLogP3.84
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 175738814) is 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline is FC(F)(F)Oc1cccc(-c2nc3c4ccccc4ncn3n2)c1.
What is the InChIKey of 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is QNHXAWWAYBRYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O/c17-16(18,19)24-11-5-3-4-10(8-11)14-21-15-12-6-1-2-7-13(12)20-9-23(15)22-14/h1-9H.
What are the key properties of 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 330.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175738814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).