5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine

C7H5ClN4O — CID 130646137

IUPAC5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cncc(Cl)c2)o1
InChIInChI=1S/C7H5ClN4O/c8-5-1-4(2-10-3-5)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKeyWFMRVHRYUADLLI-UHFFFAOYSA-N
MW196.60 g/mol
LogP1.37
Rot. Bonds1

About 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine

5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine (PubChem CID 130646137) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine
PubChem CID130646137
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cncc(Cl)c2)o1
InChIInChI=1S/C7H5ClN4O/c8-5-1-4(2-10-3-5)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKeyWFMRVHRYUADLLI-UHFFFAOYSA-N
XLogP1.37
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine (CID 130646137) is 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cncc(Cl)c2)o1.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WFMRVHRYUADLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c8-5-1-4(2-10-3-5)6-11-12-7(9)13-6/h1-3H,(H2,9,12).
What are the key properties of 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine?
5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 196.60 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130646137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).