2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C22H23F3N8O — CID 169150792

IUPAC2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4ncc(C(C)(C)N)nc4C(F)(F)F)C3)nc21
InChIInChI=1S/C22H23F3N8O/c1-21(2,27)14-9-28-15(17(29-14)22(23,24)25)10-7-11(8-10)18-31-19-12-5-4-6-13(34-3)16(12)30-20(26)33(19)32-18/h4-6,9-11H,7-8,27H2,1-3H3,(H2,26,30)
InChIKeyHWGAIKLAVVAFHF-UHFFFAOYSA-N
MW472.48 g/mol
LogP3.53
Rot. Bonds4

About 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150792) has the molecular formula C22H23F3N8O and a molecular weight of 472.48 g/mol. Its IUPAC name is 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169150792
Molecular FormulaC22H23F3N8O
Molecular Weight472.48 g/mol
Exact Mass472.19
IUPAC Name2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4ncc(C(C)(C)N)nc4C(F)(F)F)C3)nc21
InChIInChI=1S/C22H23F3N8O/c1-21(2,27)14-9-28-15(17(29-14)22(23,24)25)10-7-11(8-10)18-31-19-12-5-4-6-13(34-3)16(12)30-20(26)33(19)32-18/h4-6,9-11H,7-8,27H2,1-3H3,(H2,26,30)
InChIKeyHWGAIKLAVVAFHF-UHFFFAOYSA-N
XLogP3.53
TPSA130.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150792) is 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CC(c4ncc(C(C)(C)N)nc4C(F)(F)F)C3)nc21.
What is the InChIKey of 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is HWGAIKLAVVAFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N8O/c1-21(2,27)14-9-28-15(17(29-14)22(23,24)25)10-7-11(8-10)18-31-19-12-5-4-6-13(34-3)16(12)30-20(26)33(19)32-18/h4-6,9-11H,7-8,27H2,1-3H3,(H2,26,30).
What are the key properties of 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 472.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-aminopropan-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).