7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C13H12F3N5O3S — CID 162684812

IUPAC7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCS(=O)(=O)C(F)(F)F)nc21
InChIInChI=1S/C13H12F3N5O3S/c1-24-8-4-2-3-7-10(8)19-12(17)21-11(7)18-9(20-21)5-6-25(22,23)13(14,15)16/h2-4H,5-6H2,1H3,(H2,17,19)
InChIKeyZKTHOMMCIMJSQW-UHFFFAOYSA-N
MW375.33 g/mol
LogP1.35
Rot. Bonds4

About 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 162684812) has the molecular formula C13H12F3N5O3S and a molecular weight of 375.33 g/mol. Its IUPAC name is 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID162684812
Molecular FormulaC13H12F3N5O3S
Molecular Weight375.33 g/mol
Exact Mass375.06
IUPAC Name7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCS(=O)(=O)C(F)(F)F)nc21
InChIInChI=1S/C13H12F3N5O3S/c1-24-8-4-2-3-7-10(8)19-12(17)21-11(7)18-9(20-21)5-6-25(22,23)13(14,15)16/h2-4H,5-6H2,1H3,(H2,17,19)
InChIKeyZKTHOMMCIMJSQW-UHFFFAOYSA-N
XLogP1.35
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 162684812) is 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CCS(=O)(=O)C(F)(F)F)nc21.
What is the InChIKey of 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is ZKTHOMMCIMJSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O3S/c1-24-8-4-2-3-7-10(8)19-12(17)21-11(7)18-9(20-21)5-6-25(22,23)13(14,15)16/h2-4H,5-6H2,1H3,(H2,17,19).
What are the key properties of 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 375.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[2-(trifluoromethylsulfonyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 162684812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).