[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

C13H20N6O — CID 120752882

IUPAC[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cnn(C2CCCN(Cc3noc(CN)n3)C2)c1
InChIInChI=1S/C13H20N6O/c1-10-6-15-19(7-10)11-3-2-4-18(8-11)9-12-16-13(5-14)20-17-12/h6-7,11H,2-5,8-9,14H2,1H3
InChIKeyBWXVAODHBQTIRO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.87
Rot. Bonds4

About [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752882) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752882
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cnn(C2CCCN(Cc3noc(CN)n3)C2)c1
InChIInChI=1S/C13H20N6O/c1-10-6-15-19(7-10)11-3-2-4-18(8-11)9-12-16-13(5-14)20-17-12/h6-7,11H,2-5,8-9,14H2,1H3
InChIKeyBWXVAODHBQTIRO-UHFFFAOYSA-N
XLogP0.87
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752882) is [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is Cc1cnn(C2CCCN(Cc3noc(CN)n3)C2)c1.
What is the InChIKey of [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BWXVAODHBQTIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10-6-15-19(7-10)11-3-2-4-18(8-11)9-12-16-13(5-14)20-17-12/h6-7,11H,2-5,8-9,14H2,1H3.
What are the key properties of [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).