2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one

C4H4N4O — CID 66616169

IUPAC2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one
SMILESO=c1[nH][nH]c2cn[nH]c12
InChIInChI=1S/C4H4N4O/c9-4-3-2(6-8-4)1-5-7-3/h1H,(H,5,7)(H2,6,8,9)
InChIKeySNWABVCCQRPXJO-UHFFFAOYSA-N
MW124.10 g/mol
LogP-0.42
Rot. Bonds

About 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one

2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one (PubChem CID 66616169) has the molecular formula C4H4N4O and a molecular weight of 124.10 g/mol. Its IUPAC name is 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one.

Molecular Properties

Compound Name2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one
PubChem CID66616169
Molecular FormulaC4H4N4O
Molecular Weight124.10 g/mol
Exact Mass124.04
IUPAC Name2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one
SMILESO=c1[nH][nH]c2cn[nH]c12
InChIInChI=1S/C4H4N4O/c9-4-3-2(6-8-4)1-5-7-3/h1H,(H,5,7)(H2,6,8,9)
InChIKeySNWABVCCQRPXJO-UHFFFAOYSA-N
XLogP-0.42
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one?
The IUPAC name of 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one (CID 66616169) is 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one.
What is the SMILES notation for 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one?
The canonical SMILES for 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one is O=c1[nH][nH]c2cn[nH]c12.
What is the InChIKey of 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one?
The InChIKey is SNWABVCCQRPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O/c9-4-3-2(6-8-4)1-5-7-3/h1H,(H,5,7)(H2,6,8,9).
What are the key properties of 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one?
2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one has a molecular weight of 124.10 g/mol, XLogP of -0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-pyrazolo[3,4-d]pyrazol-3-one is sourced from PubChem (CID 66616169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).