2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol

C9H12N4O3 — CID 10198415

IUPAC2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol
SMILESOCC(CO)OCc1[nH]nc2cncnc12
InChIInChI=1S/C9H12N4O3/c14-2-6(3-15)16-4-8-9-7(12-13-8)1-10-5-11-9/h1,5-6,14-15H,2-4H2,(H,12,13)
InChIKeyDGRFHTKDWHBVFX-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.78
Rot. Bonds5

About 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol

2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol (PubChem CID 10198415) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol
PubChem CID10198415
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol
SMILESOCC(CO)OCc1[nH]nc2cncnc12
InChIInChI=1S/C9H12N4O3/c14-2-6(3-15)16-4-8-9-7(12-13-8)1-10-5-11-9/h1,5-6,14-15H,2-4H2,(H,12,13)
InChIKeyDGRFHTKDWHBVFX-UHFFFAOYSA-N
XLogP-0.78
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol?
The IUPAC name of 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol (CID 10198415) is 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol.
What is the SMILES notation for 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol?
The canonical SMILES for 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol is OCC(CO)OCc1[nH]nc2cncnc12.
What is the InChIKey of 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol?
The InChIKey is DGRFHTKDWHBVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c14-2-6(3-15)16-4-8-9-7(12-13-8)1-10-5-11-9/h1,5-6,14-15H,2-4H2,(H,12,13).
What are the key properties of 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol?
2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol has a molecular weight of 224.22 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol is sourced from PubChem (CID 10198415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).