6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol

C11H14N4O2 — CID 164559630

IUPAC6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol
SMILESCN(c1cn2ncc(O)c2cn1)C(O)C1CC1
InChIInChI=1S/C11H14N4O2/c1-14(11(17)7-2-3-7)10-6-15-8(4-12-10)9(16)5-13-15/h4-7,11,16-17H,2-3H2,1H3
InChIKeyCWVAWEAEFBMWSB-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.60
Rot. Bonds3

About 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol

6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol (PubChem CID 164559630) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol
PubChem CID164559630
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol
SMILESCN(c1cn2ncc(O)c2cn1)C(O)C1CC1
InChIInChI=1S/C11H14N4O2/c1-14(11(17)7-2-3-7)10-6-15-8(4-12-10)9(16)5-13-15/h4-7,11,16-17H,2-3H2,1H3
InChIKeyCWVAWEAEFBMWSB-UHFFFAOYSA-N
XLogP0.60
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol?
The IUPAC name of 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol (CID 164559630) is 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol.
What is the SMILES notation for 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol?
The canonical SMILES for 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol is CN(c1cn2ncc(O)c2cn1)C(O)C1CC1.
What is the InChIKey of 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol?
The InChIKey is CWVAWEAEFBMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14(11(17)7-2-3-7)10-6-15-8(4-12-10)9(16)5-13-15/h4-7,11,16-17H,2-3H2,1H3.
What are the key properties of 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol?
6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol has a molecular weight of 234.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol is sourced from PubChem (CID 164559630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).