5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline

C17H17F3N6 — CID 53380786

IUPAC5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCN1CC2CN(c3nc4ccc(C(F)(F)F)cc4c4ncnn34)CC2C1
InChIInChI=1S/C17H17F3N6/c1-24-5-10-7-25(8-11(10)6-24)16-23-14-3-2-12(17(18,19)20)4-13(14)15-21-9-22-26(15)16/h2-4,9-11H,5-8H2,1H3
InChIKeyXDDSYJBLHRSZCT-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.29
Rot. Bonds1

About 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline

5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 53380786) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID53380786
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCN1CC2CN(c3nc4ccc(C(F)(F)F)cc4c4ncnn34)CC2C1
InChIInChI=1S/C17H17F3N6/c1-24-5-10-7-25(8-11(10)6-24)16-23-14-3-2-12(17(18,19)20)4-13(14)15-21-9-22-26(15)16/h2-4,9-11H,5-8H2,1H3
InChIKeyXDDSYJBLHRSZCT-UHFFFAOYSA-N
XLogP2.29
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]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 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 53380786) is 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline is CN1CC2CN(c3nc4ccc(C(F)(F)F)cc4c4ncnn34)CC2C1.
What is the InChIKey of 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is XDDSYJBLHRSZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c1-24-5-10-7-25(8-11(10)6-24)16-23-14-3-2-12(17(18,19)20)4-13(14)15-21-9-22-26(15)16/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 362.36 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 53380786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).