N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C19H19N5O — CID 15990052

IUPACN-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCCOc1ccc(Nc2nc3ccccc3c3nnc(CC)n23)cc1
InChIInChI=1S/C19H19N5O/c1-3-17-22-23-18-15-7-5-6-8-16(15)21-19(24(17)18)20-13-9-11-14(12-10-13)25-4-2/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKeyARONJYAEYIWLGZ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.98
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 15990052) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID15990052
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCCOc1ccc(Nc2nc3ccccc3c3nnc(CC)n23)cc1
InChIInChI=1S/C19H19N5O/c1-3-17-22-23-18-15-7-5-6-8-16(15)21-19(24(17)18)20-13-9-11-14(12-10-13)25-4-2/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKeyARONJYAEYIWLGZ-UHFFFAOYSA-N
XLogP3.98
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 15990052) is N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is CCOc1ccc(Nc2nc3ccccc3c3nnc(CC)n23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is ARONJYAEYIWLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-17-22-23-18-15-7-5-6-8-16(15)21-19(24(17)18)20-13-9-11-14(12-10-13)25-4-2/h5-12H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 333.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 15990052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).