1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one

C14H13N5O — CID 62246352

IUPAC1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one
SMILESNNc1ccc(Cn2ncc(=O)c3ccccc32)cn1
InChIInChI=1S/C14H13N5O/c15-18-14-6-5-10(7-16-14)9-19-12-4-2-1-3-11(12)13(20)8-17-19/h1-8H,9,15H2,(H,16,18)
InChIKeyAOSDFKDAHUALRE-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.13
Rot. Bonds3

About 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one

1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one (PubChem CID 62246352) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one
PubChem CID62246352
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one
SMILESNNc1ccc(Cn2ncc(=O)c3ccccc32)cn1
InChIInChI=1S/C14H13N5O/c15-18-14-6-5-10(7-16-14)9-19-12-4-2-1-3-11(12)13(20)8-17-19/h1-8H,9,15H2,(H,16,18)
InChIKeyAOSDFKDAHUALRE-UHFFFAOYSA-N
XLogP1.13
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.13
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-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one?
The IUPAC name of 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one (CID 62246352) is 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one.
What is the SMILES notation for 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one?
The canonical SMILES for 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one is NNc1ccc(Cn2ncc(=O)c3ccccc32)cn1.
What is the InChIKey of 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one?
The InChIKey is AOSDFKDAHUALRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-18-14-6-5-10(7-16-14)9-19-12-4-2-1-3-11(12)13(20)8-17-19/h1-8H,9,15H2,(H,16,18).
What are the key properties of 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one?
1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-3-pyridinyl)methyl]cinnolin-4-one is sourced from PubChem (CID 62246352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).