6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C5H6N6O — CID 135905161

IUPAC6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESNNc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C5H6N6O/c6-10-5-8-3-2(1-7-11-3)4(12)9-5/h1H,6H2,(H3,7,8,9,10,11,12)
InChIKeyLEFRWEFKNQEIDR-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.07
Rot. Bonds1

About 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135905161) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135905161
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESNNc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C5H6N6O/c6-10-5-8-3-2(1-7-11-3)4(12)9-5/h1H,6H2,(H3,7,8,9,10,11,12)
InChIKeyLEFRWEFKNQEIDR-UHFFFAOYSA-N
XLogP-1.07
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135905161) is 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is NNc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LEFRWEFKNQEIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c6-10-5-8-3-2(1-7-11-3)4(12)9-5/h1H,6H2,(H3,7,8,9,10,11,12).
What are the key properties of 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 166.14 g/mol, XLogP of -1.07, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135905161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).