N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine

C8H8N4O2 — CID 140513842

IUPACN-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(Nc2nnco2)cn1
InChIInChI=1S/C8H8N4O2/c1-13-7-3-2-6(4-9-7)11-8-12-10-5-14-8/h2-5H,1H3,(H,11,12)
InChIKeyCRBYFNTXISKZPU-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.22
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine

N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine (PubChem CID 140513842) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine
PubChem CID140513842
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC NameN-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(Nc2nnco2)cn1
InChIInChI=1S/C8H8N4O2/c1-13-7-3-2-6(4-9-7)11-8-12-10-5-14-8/h2-5H,1H3,(H,11,12)
InChIKeyCRBYFNTXISKZPU-UHFFFAOYSA-N
XLogP1.22
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine (CID 140513842) is N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine is COc1ccc(Nc2nnco2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CRBYFNTXISKZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-13-7-3-2-6(4-9-7)11-8-12-10-5-14-8/h2-5H,1H3,(H,11,12).
What are the key properties of N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine?
N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 192.18 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 140513842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).