7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H17F2N5 — CID 146134109

IUPAC7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CC(CC(F)F)C2)n2ncnc2n1
InChIInChI=1S/C13H17F2N5/c1-8(2)10-4-12(20-13(18-10)16-7-17-20)19-5-9(6-19)3-11(14)15/h4,7-9,11H,3,5-6H2,1-2H3
InChIKeyIBVWTGXASSZLNU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.34
Rot. Bonds4

About 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 146134109) has the molecular formula C13H17F2N5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID146134109
Molecular FormulaC13H17F2N5
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Name7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CC(CC(F)F)C2)n2ncnc2n1
InChIInChI=1S/C13H17F2N5/c1-8(2)10-4-12(20-13(18-10)16-7-17-20)19-5-9(6-19)3-11(14)15/h4,7-9,11H,3,5-6H2,1-2H3
InChIKeyIBVWTGXASSZLNU-UHFFFAOYSA-N
XLogP2.34
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929849
(6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
CID 164629665
(3R,5S)-5-(hydroxymethyl)-1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 167815404
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354019
3-[3-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propanoic acid
CID 167780483
5-propan-2-yl-N-(1-pyridin-4-ylazetidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 166306908
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912190
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 60916273
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
CID 115657951
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole
CID 71892460

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 146134109) is 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)c1cc(N2CC(CC(F)F)C2)n2ncnc2n1.
What is the InChIKey of 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IBVWTGXASSZLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5/c1-8(2)10-4-12(20-13(18-10)16-7-17-20)19-5-9(6-19)3-11(14)15/h4,7-9,11H,3,5-6H2,1-2H3.
What are the key properties of 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 281.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,2-difluoroethyl)azetidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146134109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).