5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C13H20N6O — CID 72898288

IUPAC5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCc2cc3n(n2)CCNC3)o1
InChIInChI=1S/C13H20N6O/c1-13(2,3)11-16-17-12(20-11)15-7-9-6-10-8-14-4-5-19(10)18-9/h6,14H,4-5,7-8H2,1-3H3,(H,15,17)
InChIKeyHLHNICZOATTWJW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.28
Rot. Bonds3

About 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 72898288) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID72898288
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1nnc(NCc2cc3n(n2)CCNC3)o1
InChIInChI=1S/C13H20N6O/c1-13(2,3)11-16-17-12(20-11)15-7-9-6-10-8-14-4-5-19(10)18-9/h6,14H,4-5,7-8H2,1-3H3,(H,15,17)
InChIKeyHLHNICZOATTWJW-UHFFFAOYSA-N
XLogP1.28
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 72898288) is 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)c1nnc(NCc2cc3n(n2)CCNC3)o1.
What is the InChIKey of 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HLHNICZOATTWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-13(2,3)11-16-17-12(20-11)15-7-9-6-10-8-14-4-5-19(10)18-9/h6,14H,4-5,7-8H2,1-3H3,(H,15,17).
What are the key properties of 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72898288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).