5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

C17H14N6O — CID 66554901

IUPAC5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C17H14N6O/c18-17-23-22-16(24-17)10-3-4-13-11(5-10)12(6-20-13)15-8-19-7-14(21-15)9-1-2-9/h3-9,20H,1-2H2,(H2,18,23)
InChIKeyJBUOFUIXSMJURC-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.13
Rot. Bonds3

About 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66554901) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID66554901
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C17H14N6O/c18-17-23-22-16(24-17)10-3-4-13-11(5-10)12(6-20-13)15-8-19-7-14(21-15)9-1-2-9/h3-9,20H,1-2H2,(H2,18,23)
InChIKeyJBUOFUIXSMJURC-UHFFFAOYSA-N
XLogP3.13
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66554901) is 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1.
What is the InChIKey of 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JBUOFUIXSMJURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-17-23-22-16(24-17)10-3-4-13-11(5-10)12(6-20-13)15-8-19-7-14(21-15)9-1-2-9/h3-9,20H,1-2H2,(H2,18,23).
What are the key properties of 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 318.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66554901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).