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

C8H10N4O — CID 66409050

IUPAC[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine
SMILESNCc1cccn1Cc1ncon1
InChIInChI=1S/C8H10N4O/c9-4-7-2-1-3-12(7)5-8-10-6-13-11-8/h1-3,6H,4-5,9H2
InChIKeyGWPZQSLXGGEMHF-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.38
Rot. Bonds3

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

[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine (PubChem CID 66409050) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine
PubChem CID66409050
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine
SMILESNCc1cccn1Cc1ncon1
InChIInChI=1S/C8H10N4O/c9-4-7-2-1-3-12(7)5-8-10-6-13-11-8/h1-3,6H,4-5,9H2
InChIKeyGWPZQSLXGGEMHF-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 [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine?
The IUPAC name of [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine (CID 66409050) is [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine?
The canonical SMILES for [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine is NCc1cccn1Cc1ncon1.
What is the InChIKey of [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine?
The InChIKey is GWPZQSLXGGEMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-4-7-2-1-3-12(7)5-8-10-6-13-11-8/h1-3,6H,4-5,9H2.
What are the key properties of [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine?
[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-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 [1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 66409050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).