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

C12H14F3N5O2 — CID 139375959

IUPAC1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCc1nc2nonc2c(N)c1CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H14F3N5O2/c1-6-7(8(16)9-10(17-6)19-22-18-9)4-20-3-2-11(21,5-20)12(13,14)15/h21H,2-5,16H2,1H3
InChIKeyUUCHNELNZKXXEX-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.01
Rot. Bonds2

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

1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 139375959) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID139375959
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC Name1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCc1nc2nonc2c(N)c1CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H14F3N5O2/c1-6-7(8(16)9-10(17-6)19-22-18-9)4-20-3-2-11(21,5-20)12(13,14)15/h21H,2-5,16H2,1H3
InChIKeyUUCHNELNZKXXEX-UHFFFAOYSA-N
XLogP1.01
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 139375959) is 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol is Cc1nc2nonc2c(N)c1CN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is UUCHNELNZKXXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-6-7(8(16)9-10(17-6)19-22-18-9)4-20-3-2-11(21,5-20)12(13,14)15/h21H,2-5,16H2,1H3.
What are the key properties of 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 317.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 139375959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).