3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide

C11H15F2N5O — CID 128641999

IUPAC3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc2n(n1)CCCC2)N1CCC(F)(F)C1
InChIInChI=1S/C11H15F2N5O/c12-11(13)4-6-17(7-11)10(19)15-9-14-8-3-1-2-5-18(8)16-9/h1-7H2,(H,15,16,19)
InChIKeyVWUACWOMZPTNPU-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.49
Rot. Bonds1

About 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide

3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 128641999) has the molecular formula C11H15F2N5O and a molecular weight of 271.27 g/mol. Its IUPAC name is 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
PubChem CID128641999
Molecular FormulaC11H15F2N5O
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc2n(n1)CCCC2)N1CCC(F)(F)C1
InChIInChI=1S/C11H15F2N5O/c12-11(13)4-6-17(7-11)10(19)15-9-14-8-3-1-2-5-18(8)16-9/h1-7H2,(H,15,16,19)
InChIKeyVWUACWOMZPTNPU-UHFFFAOYSA-N
XLogP1.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide (CID 128641999) is 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1nc2n(n1)CCCC2)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VWUACWOMZPTNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O/c12-11(13)4-6-17(7-11)10(19)15-9-14-8-3-1-2-5-18(8)16-9/h1-7H2,(H,15,16,19).
What are the key properties of 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide?
3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 271.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128641999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).