4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine

C5H6N4 — CID 135979561

IUPAC4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine
SMILESC1=NCc2cn[nH]c2N1
InChIInChI=1S/C5H6N4/c1-4-2-8-9-5(4)7-3-6-1/h2-3H,1H2,(H2,6,7,8,9)
InChIKeyHCKWIDXZRSTLMG-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.36
Rot. Bonds

About 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine

4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 135979561) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID135979561
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine
SMILESC1=NCc2cn[nH]c2N1
InChIInChI=1S/C5H6N4/c1-4-2-8-9-5(4)7-3-6-1/h2-3H,1H2,(H2,6,7,8,9)
InChIKeyHCKWIDXZRSTLMG-UHFFFAOYSA-N
XLogP0.36
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine (CID 135979561) is 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine is C1=NCc2cn[nH]c2N1.
What is the InChIKey of 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is HCKWIDXZRSTLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c1-4-2-8-9-5(4)7-3-6-1/h2-3H,1H2,(H2,6,7,8,9).
What are the key properties of 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine?
4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 122.13 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 135979561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).