5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C19H15FN4O — CID 16669129

IUPAC5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESO=c1n(Cc2ccc(F)cc2)nc2c3ccccc3nc(C3CC3)n12
InChIInChI=1S/C19H15FN4O/c20-14-9-5-12(6-10-14)11-23-19(25)24-17(13-7-8-13)21-16-4-2-1-3-15(16)18(24)22-23/h1-6,9-10,13H,7-8,11H2
InChIKeyJTFQHDWMZHNALK-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.11
Rot. Bonds3

About 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one

5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 16669129) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID16669129
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESO=c1n(Cc2ccc(F)cc2)nc2c3ccccc3nc(C3CC3)n12
InChIInChI=1S/C19H15FN4O/c20-14-9-5-12(6-10-14)11-23-19(25)24-17(13-7-8-13)21-16-4-2-1-3-15(16)18(24)22-23/h1-6,9-10,13H,7-8,11H2
InChIKeyJTFQHDWMZHNALK-UHFFFAOYSA-N
XLogP3.11
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 16669129) is 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one is O=c1n(Cc2ccc(F)cc2)nc2c3ccccc3nc(C3CC3)n12.
What is the InChIKey of 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is JTFQHDWMZHNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-14-9-5-12(6-10-14)11-23-19(25)24-17(13-7-8-13)21-16-4-2-1-3-15(16)18(24)22-23/h1-6,9-10,13H,7-8,11H2.
What are the key properties of 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 334.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 16669129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).