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

C14H22N6O — CID 120752876

IUPAC[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cnn(CC2CCN(Cc3noc(CN)n3)CC2)c1
InChIInChI=1S/C14H22N6O/c1-11-7-16-20(8-11)9-12-2-4-19(5-3-12)10-13-17-14(6-15)21-18-13/h7-8,12H,2-6,9-10,15H2,1H3
InChIKeyCBLTWBAACAABRE-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.95
Rot. Bonds5

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

[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752876) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752876
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cnn(CC2CCN(Cc3noc(CN)n3)CC2)c1
InChIInChI=1S/C14H22N6O/c1-11-7-16-20(8-11)9-12-2-4-19(5-3-12)10-13-17-14(6-15)21-18-13/h7-8,12H,2-6,9-10,15H2,1H3
InChIKeyCBLTWBAACAABRE-UHFFFAOYSA-N
XLogP0.95
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752876) is [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is Cc1cnn(CC2CCN(Cc3noc(CN)n3)CC2)c1.
What is the InChIKey of [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is CBLTWBAACAABRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-7-16-20(8-11)9-12-2-4-19(5-3-12)10-13-17-14(6-15)21-18-13/h7-8,12H,2-6,9-10,15H2,1H3.
What are the key properties of [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 290.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).