5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine

C12H8ClN5O — CID 69485453

IUPAC5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1
InChIInChI=1S/C12H8ClN5O/c13-9-2-1-7(12-18-17-6-19-12)3-8(9)10-4-16-11(14)5-15-10/h1-6H,(H2,14,16)
InChIKeyPCRLDDCBMNGACW-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.43
Rot. Bonds2

About 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine

5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine (PubChem CID 69485453) has the molecular formula C12H8ClN5O and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine
PubChem CID69485453
Molecular FormulaC12H8ClN5O
Molecular Weight273.68 g/mol
Exact Mass273.04
IUPAC Name5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1
InChIInChI=1S/C12H8ClN5O/c13-9-2-1-7(12-18-17-6-19-12)3-8(9)10-4-16-11(14)5-15-10/h1-6H,(H2,14,16)
InChIKeyPCRLDDCBMNGACW-UHFFFAOYSA-N
XLogP2.43
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine (CID 69485453) is 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine is Nc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1.
What is the InChIKey of 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine?
The InChIKey is PCRLDDCBMNGACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5O/c13-9-2-1-7(12-18-17-6-19-12)3-8(9)10-4-16-11(14)5-15-10/h1-6H,(H2,14,16).
What are the key properties of 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine?
5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine has a molecular weight of 273.68 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 69485453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).