[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

C11H15N5O — CID 81098491

IUPAC[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1noc(-c2ccc(CN)cn2)n1
InChIInChI=1S/C11H15N5O/c1-16(2)7-10-14-11(17-15-10)9-4-3-8(5-12)6-13-9/h3-4,6H,5,7,12H2,1-2H3
InChIKeyASPVXZARLHLUKP-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.65
Rot. Bonds4

About [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 81098491) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
PubChem CID81098491
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1noc(-c2ccc(CN)cn2)n1
InChIInChI=1S/C11H15N5O/c1-16(2)7-10-14-11(17-15-10)9-4-3-8(5-12)6-13-9/h3-4,6H,5,7,12H2,1-2H3
InChIKeyASPVXZARLHLUKP-UHFFFAOYSA-N
XLogP0.65
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (CID 81098491) is [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1noc(-c2ccc(CN)cn2)n1.
What is the InChIKey of [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is ASPVXZARLHLUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16(2)7-10-14-11(17-15-10)9-4-3-8(5-12)6-13-9/h3-4,6H,5,7,12H2,1-2H3.
What are the key properties of [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 233.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81098491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).