3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

C13H21N5O — CID 61324877

IUPAC3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H21N5O/c1-6-13(14,7-2)12-15-11(19-17-12)10-8(3)16-18(5)9(10)4/h6-7,14H2,1-5H3
InChIKeyGCQLHSSITLCOFH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.06
Rot. Bonds4

About 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 61324877) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID61324877
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H21N5O/c1-6-13(14,7-2)12-15-11(19-17-12)10-8(3)16-18(5)9(10)4/h6-7,14H2,1-5H3
InChIKeyGCQLHSSITLCOFH-UHFFFAOYSA-N
XLogP2.06
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 61324877) is 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is GCQLHSSITLCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-6-13(14,7-2)12-15-11(19-17-12)10-8(3)16-18(5)9(10)4/h6-7,14H2,1-5H3.
What are the key properties of 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 61324877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).