2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one

C11H12N4O — CID 106549024

IUPAC2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2ccnc(N)c2)c(=O)c1
InChIInChI=1S/C11H12N4O/c1-8-4-11(16)15(14-6-8)7-9-2-3-13-10(12)5-9/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyZVBWMYWFNOASNG-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.58
Rot. Bonds2

About 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one

2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one (PubChem CID 106549024) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one
PubChem CID106549024
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2ccnc(N)c2)c(=O)c1
InChIInChI=1S/C11H12N4O/c1-8-4-11(16)15(14-6-8)7-9-2-3-13-10(12)5-9/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyZVBWMYWFNOASNG-UHFFFAOYSA-N
XLogP0.58
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one (CID 106549024) is 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one is Cc1cnn(Cc2ccnc(N)c2)c(=O)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one?
The InChIKey is ZVBWMYWFNOASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-4-11(16)15(14-6-8)7-9-2-3-13-10(12)5-9/h2-6H,7H2,1H3,(H2,12,13).
What are the key properties of 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one?
2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106549024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).