5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine

C10H7N5O — CID 62850606

IUPAC5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3nccnc3c2)o1
InChIInChI=1S/C10H7N5O/c11-10-15-14-9(16-10)6-1-2-7-8(5-6)13-4-3-12-7/h1-5H,(H2,11,15)
InChIKeyYMINFJYMBMEPHE-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.26
Rot. Bonds1

About 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine

5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine (PubChem CID 62850606) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine
PubChem CID62850606
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3nccnc3c2)o1
InChIInChI=1S/C10H7N5O/c11-10-15-14-9(16-10)6-1-2-7-8(5-6)13-4-3-12-7/h1-5H,(H2,11,15)
InChIKeyYMINFJYMBMEPHE-UHFFFAOYSA-N
XLogP1.26
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine (CID 62850606) is 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3nccnc3c2)o1.
What is the InChIKey of 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is YMINFJYMBMEPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c11-10-15-14-9(16-10)6-1-2-7-8(5-6)13-4-3-12-7/h1-5H,(H2,11,15).
What are the key properties of 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine?
5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 213.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 62850606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).