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

C19H16F3N5O — CID 18592608

IUPACN-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCOCCNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc12
InChIInChI=1S/C19H16F3N5O/c1-28-10-9-23-17-14-7-2-3-8-15(14)27-18(24-17)16(25-26-27)12-5-4-6-13(11-12)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,24)
InChIKeyIUYWXBJWBMFZFD-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.02
Rot. Bonds5

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

N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine (PubChem CID 18592608) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
PubChem CID18592608
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC NameN-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCOCCNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc12
InChIInChI=1S/C19H16F3N5O/c1-28-10-9-23-17-14-7-2-3-8-15(14)27-18(24-17)16(25-26-27)12-5-4-6-13(11-12)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,24)
InChIKeyIUYWXBJWBMFZFD-UHFFFAOYSA-N
XLogP4.02
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine (CID 18592608) is N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine is COCCNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is IUYWXBJWBMFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-28-10-9-23-17-14-7-2-3-8-15(14)27-18(24-17)16(25-26-27)12-5-4-6-13(11-12)19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,24).
What are the key properties of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine?
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 387.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 18592608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).