5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine

C12H20N4O2 — CID 163474003

IUPAC5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
SMILESCC(C)(C)OC1OC1N1CCn2nc(N)cc2C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11-10(17-11)15-4-5-16-8(7-15)6-9(13)14-16/h6,10-11H,4-5,7H2,1-3H3,(H2,13,14)
InChIKeyBYWOLRMHCUDKDA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.78
Rot. Bonds2

About 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine

5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine (PubChem CID 163474003) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
PubChem CID163474003
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
SMILESCC(C)(C)OC1OC1N1CCn2nc(N)cc2C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11-10(17-11)15-4-5-16-8(7-15)6-9(13)14-16/h6,10-11H,4-5,7H2,1-3H3,(H2,13,14)
InChIKeyBYWOLRMHCUDKDA-UHFFFAOYSA-N
XLogP0.78
TPSA68.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine (CID 163474003) is 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine is CC(C)(C)OC1OC1N1CCn2nc(N)cc2C1.
What is the InChIKey of 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The InChIKey is BYWOLRMHCUDKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)18-11-10(17-11)15-4-5-16-8(7-15)6-9(13)14-16/h6,10-11H,4-5,7H2,1-3H3,(H2,13,14).
What are the key properties of 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 163474003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).