2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol

C12H18N4O — CID 106186000

IUPAC2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nccn2nccc12
InChIInChI=1S/C12H18N4O/c1-11(2,12(3,4)17)15-10-9-5-6-14-16(9)8-7-13-10/h5-8,17H,1-4H3,(H,13,15)
InChIKeyLIHJQMVXTFSWDR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.69
Rot. Bonds3

About 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol

2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol (PubChem CID 106186000) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol
PubChem CID106186000
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nccn2nccc12
InChIInChI=1S/C12H18N4O/c1-11(2,12(3,4)17)15-10-9-5-6-14-16(9)8-7-13-10/h5-8,17H,1-4H3,(H,13,15)
InChIKeyLIHJQMVXTFSWDR-UHFFFAOYSA-N
XLogP1.69
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol (CID 106186000) is 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol is CC(C)(O)C(C)(C)Nc1nccn2nccc12.
What is the InChIKey of 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol?
The InChIKey is LIHJQMVXTFSWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-11(2,12(3,4)17)15-10-9-5-6-14-16(9)8-7-13-10/h5-8,17H,1-4H3,(H,13,15).
What are the key properties of 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol?
2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol has a molecular weight of 234.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol is sourced from PubChem (CID 106186000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).