N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C21H15FN6 — CID 20880332

IUPACN-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESFc1ccc(CNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1
InChIInChI=1S/C21H15FN6/c22-16-7-5-14(6-8-16)13-24-21-25-18-4-2-1-3-17(18)20-26-19(27-28(20)21)15-9-11-23-12-10-15/h1-12H,13H2,(H,24,25)
InChIKeyOPODBFPCPSYGNM-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.09
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880332) has the molecular formula C21H15FN6 and a molecular weight of 370.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880332
Molecular FormulaC21H15FN6
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESFc1ccc(CNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1
InChIInChI=1S/C21H15FN6/c22-16-7-5-14(6-8-16)13-24-21-25-18-4-2-1-3-17(18)20-26-19(27-28(20)21)15-9-11-23-12-10-15/h1-12H,13H2,(H,24,25)
InChIKeyOPODBFPCPSYGNM-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 N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880332) is N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Fc1ccc(CNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is OPODBFPCPSYGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6/c22-16-7-5-14(6-8-16)13-24-21-25-18-4-2-1-3-17(18)20-26-19(27-28(20)21)15-9-11-23-12-10-15/h1-12H,13H2,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]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 N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).