3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine

C20H14FN5O — CID 51365941

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESFc1ccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1
InChIInChI=1S/C20H14FN5O/c21-14-9-7-13(8-10-14)18-20-23-19(22-12-15-4-3-11-27-15)16-5-1-2-6-17(16)26(20)25-24-18/h1-11H,12H2,(H,22,23)
InChIKeyLSWRZZBHTHOBHL-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.29
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 51365941) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID51365941
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESFc1ccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1
InChIInChI=1S/C20H14FN5O/c21-14-9-7-13(8-10-14)18-20-23-19(22-12-15-4-3-11-27-15)16-5-1-2-6-17(16)26(20)25-24-18/h1-11H,12H2,(H,22,23)
InChIKeyLSWRZZBHTHOBHL-UHFFFAOYSA-N
XLogP4.29
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
CID 51365951
7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
CID 8721555
3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
CID 53332806
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2140953
4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874455
N-[(4-chlorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 20874471
3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365962
CID 134787464
CID 134787464
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126457174
CID 134789596
CID 134789596
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
N-[[6-(4-fluorophenyl)tetrazolo[1,5-a]pyridin-8-yl]methyl]-1-(furan-2-yl)methanamine
CID 95852005

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine (CID 51365941) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine is Fc1ccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is LSWRZZBHTHOBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c21-14-9-7-13(8-10-14)18-20-23-19(22-12-15-4-3-11-27-15)16-5-1-2-6-17(16)26(20)25-24-18/h1-11H,12H2,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 359.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 51365941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).