5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one

C12H11ClN6O — CID 104735344

IUPAC5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESNNc1ccc(Cl)c(Cn2ccn3nccc3c2=O)n1
InChIInChI=1S/C12H11ClN6O/c13-8-1-2-11(17-14)16-9(8)7-18-5-6-19-10(12(18)20)3-4-15-19/h1-6H,7,14H2,(H,16,17)
InChIKeyFPQJLPJHJBQBAT-UHFFFAOYSA-N
MW290.71 g/mol
LogP0.88
Rot. Bonds3

About 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one

5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735344) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735344
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESNNc1ccc(Cl)c(Cn2ccn3nccc3c2=O)n1
InChIInChI=1S/C12H11ClN6O/c13-8-1-2-11(17-14)16-9(8)7-18-5-6-19-10(12(18)20)3-4-15-19/h1-6H,7,14H2,(H,16,17)
InChIKeyFPQJLPJHJBQBAT-UHFFFAOYSA-N
XLogP0.88
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735344) is 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is NNc1ccc(Cl)c(Cn2ccn3nccc3c2=O)n1.
What is the InChIKey of 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FPQJLPJHJBQBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c13-8-1-2-11(17-14)16-9(8)7-18-5-6-19-10(12(18)20)3-4-15-19/h1-6H,7,14H2,(H,16,17).
What are the key properties of 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 290.71 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).