3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine

C21H16N6 — CID 53332806

IUPAC3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESc1ccc(-c2nnn3c2nc(NCc2ccccn2)c2ccccc23)cc1
InChIInChI=1S/C21H16N6/c1-2-8-15(9-3-1)19-21-24-20(23-14-16-10-6-7-13-22-16)17-11-4-5-12-18(17)27(21)26-25-19/h1-13H,14H2,(H,23,24)
InChIKeyJBUXCMWPSYGXBZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.95
Rot. Bonds4

About 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine

3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 53332806) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID53332806
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESc1ccc(-c2nnn3c2nc(NCc2ccccn2)c2ccccc23)cc1
InChIInChI=1S/C21H16N6/c1-2-8-15(9-3-1)19-21-24-20(23-14-16-10-6-7-13-22-16)17-11-4-5-12-18(17)27(21)26-25-19/h1-13H,14H2,(H,23,24)
InChIKeyJBUXCMWPSYGXBZ-UHFFFAOYSA-N
XLogP3.95
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine (CID 53332806) is 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine is c1ccc(-c2nnn3c2nc(NCc2ccccn2)c2ccccc23)cc1.
What is the InChIKey of 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is JBUXCMWPSYGXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-2-8-15(9-3-1)19-21-24-20(23-14-16-10-6-7-13-22-16)17-11-4-5-12-18(17)27(21)26-25-19/h1-13H,14H2,(H,23,24).
What are the key properties of 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 352.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 53332806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).