7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C10H11F2N5 — CID 122269226

IUPAC7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(F)(F)C2)n2ncnc2n1
InChIInChI=1S/C10H11F2N5/c1-7-4-8(16-3-2-10(11,12)5-16)17-9(15-7)13-6-14-17/h4,6H,2-3,5H2,1H3
InChIKeyVYWXJPDLASIWBU-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.28
Rot. Bonds1

About 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 122269226) has the molecular formula C10H11F2N5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID122269226
Molecular FormulaC10H11F2N5
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(F)(F)C2)n2ncnc2n1
InChIInChI=1S/C10H11F2N5/c1-7-4-8(16-3-2-10(11,12)5-16)17-9(15-7)13-6-14-17/h4,6H,2-3,5H2,1H3
InChIKeyVYWXJPDLASIWBU-UHFFFAOYSA-N
XLogP1.28
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 122269226) is 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(F)(F)C2)n2ncnc2n1.
What is the InChIKey of 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VYWXJPDLASIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5/c1-7-4-8(16-3-2-10(11,12)5-16)17-9(15-7)13-6-14-17/h4,6H,2-3,5H2,1H3.
What are the key properties of 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 239.23 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122269226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).