1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one

C11H12ClN5O — CID 63206789

IUPAC1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(Cc2nc(NN)ccc2Cl)c1
InChIInChI=1S/C11H12ClN5O/c1-7-4-14-11(18)17(5-7)6-9-8(12)2-3-10(15-9)16-13/h2-5H,6,13H2,1H3,(H,15,16)
InChIKeyONRHSDBEPDBPKT-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.93
Rot. Bonds3

About 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one

1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one (PubChem CID 63206789) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one
PubChem CID63206789
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(Cc2nc(NN)ccc2Cl)c1
InChIInChI=1S/C11H12ClN5O/c1-7-4-14-11(18)17(5-7)6-9-8(12)2-3-10(15-9)16-13/h2-5H,6,13H2,1H3,(H,15,16)
InChIKeyONRHSDBEPDBPKT-UHFFFAOYSA-N
XLogP0.93
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.93
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-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one (CID 63206789) is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(Cc2nc(NN)ccc2Cl)c1.
What is the InChIKey of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one?
The InChIKey is ONRHSDBEPDBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-7-4-14-11(18)17(5-7)6-9-8(12)2-3-10(15-9)16-13/h2-5H,6,13H2,1H3,(H,15,16).
What are the key properties of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one?
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one has a molecular weight of 265.70 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).