5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline

C15H8ClFN4 — CID 2137463

IUPAC5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline
SMILESFc1cccc(-c2nnn3c2nc(Cl)c2ccccc23)c1
InChIInChI=1S/C15H8ClFN4/c16-14-11-6-1-2-7-12(11)21-15(18-14)13(19-20-21)9-4-3-5-10(17)8-9/h1-8H
InChIKeySFXLYSMIOXLDLY-UHFFFAOYSA-N
MW298.71 g/mol
LogP3.74
Rot. Bonds1

About 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline

5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline (PubChem CID 2137463) has the molecular formula C15H8ClFN4 and a molecular weight of 298.71 g/mol. Its IUPAC name is 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline
PubChem CID2137463
Molecular FormulaC15H8ClFN4
Molecular Weight298.71 g/mol
Exact Mass298.04
IUPAC Name5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline
SMILESFc1cccc(-c2nnn3c2nc(Cl)c2ccccc23)c1
InChIInChI=1S/C15H8ClFN4/c16-14-11-6-1-2-7-12(11)21-15(18-14)13(19-20-21)9-4-3-5-10(17)8-9/h1-8H
InChIKeySFXLYSMIOXLDLY-UHFFFAOYSA-N
XLogP3.74
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline?
The IUPAC name of 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline (CID 2137463) is 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline?
The canonical SMILES for 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline is Fc1cccc(-c2nnn3c2nc(Cl)c2ccccc23)c1.
What is the InChIKey of 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline?
The InChIKey is SFXLYSMIOXLDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN4/c16-14-11-6-1-2-7-12(11)21-15(18-14)13(19-20-21)9-4-3-5-10(17)8-9/h1-8H.
What are the key properties of 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline?
5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline has a molecular weight of 298.71 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazoline is sourced from PubChem (CID 2137463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).