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

C11H14N4O — CID 81098785

IUPAC[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
SMILESCCCc1noc(-c2ccc(CN)cn2)n1
InChIInChI=1S/C11H14N4O/c1-2-3-10-14-11(16-15-10)9-5-4-8(6-12)7-13-9/h4-5,7H,2-3,6,12H2,1H3
InChIKeyCJUSIESCYVMDIL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.54
Rot. Bonds4

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

[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine (PubChem CID 81098785) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
PubChem CID81098785
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
SMILESCCCc1noc(-c2ccc(CN)cn2)n1
InChIInChI=1S/C11H14N4O/c1-2-3-10-14-11(16-15-10)9-5-4-8(6-12)7-13-9/h4-5,7H,2-3,6,12H2,1H3
InChIKeyCJUSIESCYVMDIL-UHFFFAOYSA-N
XLogP1.54
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine (CID 81098785) is [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine is CCCc1noc(-c2ccc(CN)cn2)n1.
What is the InChIKey of [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine?
The InChIKey is CJUSIESCYVMDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-3-10-14-11(16-15-10)9-5-4-8(6-12)7-13-9/h4-5,7H,2-3,6,12H2,1H3.
What are the key properties of [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine?
[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81098785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).