5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one

C10H14N4O2 — CID 104734857

IUPAC5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCNCC(O)Cn1ccn2nccc2c1=O
InChIInChI=1S/C10H14N4O2/c1-11-6-8(15)7-13-4-5-14-9(10(13)16)2-3-12-14/h2-5,8,11,15H,6-7H2,1H3
InChIKeyDTPRDGSLBWKEEL-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.92
Rot. Bonds4

About 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734857) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734857
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCNCC(O)Cn1ccn2nccc2c1=O
InChIInChI=1S/C10H14N4O2/c1-11-6-8(15)7-13-4-5-14-9(10(13)16)2-3-12-14/h2-5,8,11,15H,6-7H2,1H3
InChIKeyDTPRDGSLBWKEEL-UHFFFAOYSA-N
XLogP-0.92
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104734857) is 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one is CNCC(O)Cn1ccn2nccc2c1=O.
What is the InChIKey of 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DTPRDGSLBWKEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-11-6-8(15)7-13-4-5-14-9(10(13)16)2-3-12-14/h2-5,8,11,15H,6-7H2,1H3.
What are the key properties of 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 222.25 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).