1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine

C12H13N5O — CID 104880032

IUPAC1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCC(N)Cc1noc(-c2cnn3ccccc23)n1
InChIInChI=1S/C12H13N5O/c1-8(13)6-11-15-12(18-16-11)9-7-14-17-5-3-2-4-10(9)17/h2-5,7-8H,6,13H2,1H3
InChIKeyVRDYLHXRBAZLCN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.27
Rot. Bonds3

About 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine

1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine (PubChem CID 104880032) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
PubChem CID104880032
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCC(N)Cc1noc(-c2cnn3ccccc23)n1
InChIInChI=1S/C12H13N5O/c1-8(13)6-11-15-12(18-16-11)9-7-14-17-5-3-2-4-10(9)17/h2-5,7-8H,6,13H2,1H3
InChIKeyVRDYLHXRBAZLCN-UHFFFAOYSA-N
XLogP1.27
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine (CID 104880032) is 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine is CC(N)Cc1noc(-c2cnn3ccccc23)n1.
What is the InChIKey of 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The InChIKey is VRDYLHXRBAZLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8(13)6-11-15-12(18-16-11)9-7-14-17-5-3-2-4-10(9)17/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine has a molecular weight of 243.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine is sourced from PubChem (CID 104880032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).