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

C10H14N4O — CID 104732049

IUPAC3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol
SMILESCC(CCO)Nc1nccn2nccc12
InChIInChI=1S/C10H14N4O/c1-8(3-7-15)13-10-9-2-4-12-14(9)6-5-11-10/h2,4-6,8,15H,3,7H2,1H3,(H,11,13)
InChIKeyPJRDYZPWKHFERS-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.91
Rot. Bonds4

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

3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol (PubChem CID 104732049) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol
PubChem CID104732049
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol
SMILESCC(CCO)Nc1nccn2nccc12
InChIInChI=1S/C10H14N4O/c1-8(3-7-15)13-10-9-2-4-12-14(9)6-5-11-10/h2,4-6,8,15H,3,7H2,1H3,(H,11,13)
InChIKeyPJRDYZPWKHFERS-UHFFFAOYSA-N
XLogP0.91
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol?
The IUPAC name of 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol (CID 104732049) is 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol.
What is the SMILES notation for 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol?
The canonical SMILES for 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol is CC(CCO)Nc1nccn2nccc12.
What is the InChIKey of 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol?
The InChIKey is PJRDYZPWKHFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(3-7-15)13-10-9-2-4-12-14(9)6-5-11-10/h2,4-6,8,15H,3,7H2,1H3,(H,11,13).
What are the key properties of 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol?
3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol has a molecular weight of 206.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol is sourced from PubChem (CID 104732049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).