6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid

C12H16N4O2 — CID 104729297

IUPAC6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid
SMILESO=C(O)CCCCCNc1nccn2nccc12
InChIInChI=1S/C12H16N4O2/c17-11(18)4-2-1-3-6-13-12-10-5-7-15-16(10)9-8-14-12/h5,7-9H,1-4,6H2,(H,13,14)(H,17,18)
InChIKeyHFUXBLRFMBHGHW-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.79
Rot. Bonds7

About 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid

6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid (PubChem CID 104729297) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid.

Molecular Properties

Compound Name6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid
PubChem CID104729297
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid
SMILESO=C(O)CCCCCNc1nccn2nccc12
InChIInChI=1S/C12H16N4O2/c17-11(18)4-2-1-3-6-13-12-10-5-7-15-16(10)9-8-14-12/h5,7-9H,1-4,6H2,(H,13,14)(H,17,18)
InChIKeyHFUXBLRFMBHGHW-UHFFFAOYSA-N
XLogP1.79
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid?
The IUPAC name of 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid (CID 104729297) is 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid.
What is the SMILES notation for 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid?
The canonical SMILES for 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid is O=C(O)CCCCCNc1nccn2nccc12.
What is the InChIKey of 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid?
The InChIKey is HFUXBLRFMBHGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11(18)4-2-1-3-6-13-12-10-5-7-15-16(10)9-8-14-12/h5,7-9H,1-4,6H2,(H,13,14)(H,17,18).
What are the key properties of 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid?
6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid has a molecular weight of 248.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid is sourced from PubChem (CID 104729297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).