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

C10H11N5O — CID 63768858

IUPAC3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one
SMILESNNc1ccc(Cn2cnccc2=O)cn1
InChIInChI=1S/C10H11N5O/c11-14-9-2-1-8(5-13-9)6-15-7-12-4-3-10(15)16/h1-5,7H,6,11H2,(H,13,14)
InChIKeyVBHXIYQMFCUKGT-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.03
Rot. Bonds3

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

3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one (PubChem CID 63768858) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one
PubChem CID63768858
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one
SMILESNNc1ccc(Cn2cnccc2=O)cn1
InChIInChI=1S/C10H11N5O/c11-14-9-2-1-8(5-13-9)6-15-7-12-4-3-10(15)16/h1-5,7H,6,11H2,(H,13,14)
InChIKeyVBHXIYQMFCUKGT-UHFFFAOYSA-N
XLogP-0.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.03
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 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one (CID 63768858) is 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one is NNc1ccc(Cn2cnccc2=O)cn1.
What is the InChIKey of 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one?
The InChIKey is VBHXIYQMFCUKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-14-9-2-1-8(5-13-9)6-15-7-12-4-3-10(15)16/h1-5,7H,6,11H2,(H,13,14).
What are the key properties of 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one?
3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one has a molecular weight of 217.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 63768858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).