[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

C8H10N4O — CID 121210241

IUPAC[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cn2cccc2)no1
InChIInChI=1S/C8H10N4O/c9-5-8-10-7(11-13-8)6-12-3-1-2-4-12/h1-4H,5-6,9H2
InChIKeyZAEQNRLQURKVNX-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.38
Rot. Bonds3

About [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 121210241) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID121210241
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cn2cccc2)no1
InChIInChI=1S/C8H10N4O/c9-5-8-10-7(11-13-8)6-12-3-1-2-4-12/h1-4H,5-6,9H2
InChIKeyZAEQNRLQURKVNX-UHFFFAOYSA-N
XLogP0.38
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 121210241) is [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(Cn2cccc2)no1.
What is the InChIKey of [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ZAEQNRLQURKVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-5-8-10-7(11-13-8)6-12-3-1-2-4-12/h1-4H,5-6,9H2.
What are the key properties of [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 178.19 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 121210241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).