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

C21H15FN6 — CID 51365951

IUPAC3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESFc1ccc(-c2nnn3c2nc(NCc2ccncc2)c2ccccc23)cc1
InChIInChI=1S/C21H15FN6/c22-16-7-5-15(6-8-16)19-21-25-20(24-13-14-9-11-23-12-10-14)17-3-1-2-4-18(17)28(21)27-26-19/h1-12H,13H2,(H,24,25)
InChIKeySTLQKLBHABFRJC-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.09
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 51365951) has the molecular formula C21H15FN6 and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID51365951
Molecular FormulaC21H15FN6
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Name3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESFc1ccc(-c2nnn3c2nc(NCc2ccncc2)c2ccccc23)cc1
InChIInChI=1S/C21H15FN6/c22-16-7-5-15(6-8-16)19-21-25-20(24-13-14-9-11-23-12-10-14)17-3-1-2-4-18(17)28(21)27-26-19/h1-12H,13H2,(H,24,25)
InChIKeySTLQKLBHABFRJC-UHFFFAOYSA-N
XLogP4.09
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine (CID 51365951) is 3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine is Fc1ccc(-c2nnn3c2nc(NCc2ccncc2)c2ccccc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is STLQKLBHABFRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6/c22-16-7-5-15(6-8-16)19-21-25-20(24-13-14-9-11-23-12-10-14)17-3-1-2-4-18(17)28(21)27-26-19/h1-12H,13H2,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
3-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 370.39 g/mol, XLogP of 4.09, 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-(pyridin-4-ylmethyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 51365951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).