3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one

C11H13N5O — CID 79259568

IUPAC3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cc(NN)ccn2)cn1
InChIInChI=1S/C11H13N5O/c1-8-4-11(17)16(7-14-8)6-10-5-9(15-12)2-3-13-10/h2-5,7H,6,12H2,1H3,(H,13,15)
InChIKeyIQUAKYFPGWRZOG-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.28
Rot. Bonds3

About 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one

3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one (PubChem CID 79259568) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
PubChem CID79259568
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cc(NN)ccn2)cn1
InChIInChI=1S/C11H13N5O/c1-8-4-11(17)16(7-14-8)6-10-5-9(15-12)2-3-13-10/h2-5,7H,6,12H2,1H3,(H,13,15)
InChIKeyIQUAKYFPGWRZOG-UHFFFAOYSA-N
XLogP0.28
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.28
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-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one (CID 79259568) is 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(Cc2cc(NN)ccn2)cn1.
What is the InChIKey of 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is IQUAKYFPGWRZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8-4-11(17)16(7-14-8)6-10-5-9(15-12)2-3-13-10/h2-5,7H,6,12H2,1H3,(H,13,15).
What are the key properties of 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 231.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 79259568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).