6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline

C17H17F3N6O — CID 126797921

IUPAC6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline
SMILESCOc1ccc2nc(C(F)(F)F)nc(N3CCCC(n4cncn4)C3)c2c1
InChIInChI=1S/C17H17F3N6O/c1-27-12-4-5-14-13(7-12)15(24-16(23-14)17(18,19)20)25-6-2-3-11(8-25)26-10-21-9-22-26/h4-5,7,9-11H,2-3,6,8H2,1H3
InChIKeyCLEQPMOBZXWORO-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.09
Rot. Bonds3

About 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline

6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline (PubChem CID 126797921) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline
PubChem CID126797921
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline
SMILESCOc1ccc2nc(C(F)(F)F)nc(N3CCCC(n4cncn4)C3)c2c1
InChIInChI=1S/C17H17F3N6O/c1-27-12-4-5-14-13(7-12)15(24-16(23-14)17(18,19)20)25-6-2-3-11(8-25)26-10-21-9-22-26/h4-5,7,9-11H,2-3,6,8H2,1H3
InChIKeyCLEQPMOBZXWORO-UHFFFAOYSA-N
XLogP3.09
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline?
The IUPAC name of 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline (CID 126797921) is 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline is COc1ccc2nc(C(F)(F)F)nc(N3CCCC(n4cncn4)C3)c2c1.
What is the InChIKey of 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline?
The InChIKey is CLEQPMOBZXWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-27-12-4-5-14-13(7-12)15(24-16(23-14)17(18,19)20)25-6-2-3-11(8-25)26-10-21-9-22-26/h4-5,7,9-11H,2-3,6,8H2,1H3.
What are the key properties of 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline?
6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline has a molecular weight of 378.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 126797921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).