1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C13H15N5O — CID 103061630

IUPAC1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESNNc1cnc(Cn2c3c(ccc2=O)CCC3)cn1
InChIInChI=1S/C13H15N5O/c14-17-12-7-15-10(6-16-12)8-18-11-3-1-2-9(11)4-5-13(18)19/h4-7H,1-3,8,14H2,(H,16,17)
InChIKeySJYWBHNSYSXINR-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.46
Rot. Bonds3

About 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 103061630) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID103061630
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESNNc1cnc(Cn2c3c(ccc2=O)CCC3)cn1
InChIInChI=1S/C13H15N5O/c14-17-12-7-15-10(6-16-12)8-18-11-3-1-2-9(11)4-5-13(18)19/h4-7H,1-3,8,14H2,(H,16,17)
InChIKeySJYWBHNSYSXINR-UHFFFAOYSA-N
XLogP0.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 103061630) is 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is NNc1cnc(Cn2c3c(ccc2=O)CCC3)cn1.
What is the InChIKey of 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is SJYWBHNSYSXINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-17-12-7-15-10(6-16-12)8-18-11-3-1-2-9(11)4-5-13(18)19/h4-7H,1-3,8,14H2,(H,16,17).
What are the key properties of 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 257.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinylpyrazin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 103061630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).