4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol

C13H19N5O — CID 156846838

IUPAC4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1nc(N)c2ncc(C3CC3)nc21
InChIInChI=1S/C13H19N5O/c1-13(2,19)5-6-18-12-10(11(14)17-18)15-7-9(16-12)8-3-4-8/h7-8,19H,3-6H2,1-2H3,(H2,14,17)
InChIKeyNBGPYYGIYZWEDM-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.45
Rot. Bonds4

About 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol

4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol (PubChem CID 156846838) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol
PubChem CID156846838
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1nc(N)c2ncc(C3CC3)nc21
InChIInChI=1S/C13H19N5O/c1-13(2,19)5-6-18-12-10(11(14)17-18)15-7-9(16-12)8-3-4-8/h7-8,19H,3-6H2,1-2H3,(H2,14,17)
InChIKeyNBGPYYGIYZWEDM-UHFFFAOYSA-N
XLogP1.45
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol (CID 156846838) is 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCn1nc(N)c2ncc(C3CC3)nc21.
What is the InChIKey of 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol?
The InChIKey is NBGPYYGIYZWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-13(2,19)5-6-18-12-10(11(14)17-18)15-7-9(16-12)8-3-4-8/h7-8,19H,3-6H2,1-2H3,(H2,14,17).
What are the key properties of 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol?
4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol has a molecular weight of 261.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-cyclopropylpyrazolo[3,4-b]pyrazin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 156846838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).