7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C17H21F3N8 — CID 72703293

IUPAC7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc(C(F)(F)F)n2nc(CCc3nc(N4CCCC4)nn3C)nc2c1C
InChIInChI=1S/C17H21F3N8/c1-10-11(2)21-15(17(18,19)20)28-14(10)22-12(24-28)6-7-13-23-16(25-26(13)3)27-8-4-5-9-27/h4-9H2,1-3H3
InChIKeyXDUDUKBZKQBIIZ-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.27
Rot. Bonds4

About 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 72703293) has the molecular formula C17H21F3N8 and a molecular weight of 394.41 g/mol. Its IUPAC name is 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID72703293
Molecular FormulaC17H21F3N8
Molecular Weight394.41 g/mol
Exact Mass394.18
IUPAC Name7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc(C(F)(F)F)n2nc(CCc3nc(N4CCCC4)nn3C)nc2c1C
InChIInChI=1S/C17H21F3N8/c1-10-11(2)21-15(17(18,19)20)28-14(10)22-12(24-28)6-7-13-23-16(25-26(13)3)27-8-4-5-9-27/h4-9H2,1-3H3
InChIKeyXDUDUKBZKQBIIZ-UHFFFAOYSA-N
XLogP2.27
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 72703293) is 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc(C(F)(F)F)n2nc(CCc3nc(N4CCCC4)nn3C)nc2c1C.
What is the InChIKey of 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is XDUDUKBZKQBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N8/c1-10-11(2)21-15(17(18,19)20)28-14(10)22-12(24-28)6-7-13-23-16(25-26(13)3)27-8-4-5-9-27/h4-9H2,1-3H3.
What are the key properties of 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 394.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 72703293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).