5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C12H14F3N5O — CID 139375955

IUPAC5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H14F3N5O/c1-6-8(9(16)10-11(17-6)19-21-18-10)5-20-3-2-7(4-20)12(13,14)15/h7H,2-5,16H2,1H3
InChIKeyYXMDWZPYPGMNTO-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.89
Rot. Bonds2

About 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139375955) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139375955
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H14F3N5O/c1-6-8(9(16)10-11(17-6)19-21-18-10)5-20-3-2-7(4-20)12(13,14)15/h7H,2-5,16H2,1H3
InChIKeyYXMDWZPYPGMNTO-UHFFFAOYSA-N
XLogP1.89
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139375955) is 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1CN1CCC(C(F)(F)F)C1.
What is the InChIKey of 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is YXMDWZPYPGMNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-6-8(9(16)10-11(17-6)19-21-18-10)5-20-3-2-7(4-20)12(13,14)15/h7H,2-5,16H2,1H3.
What are the key properties of 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 301.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139375955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).