2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one

C11H12N4O — CID 79251475

IUPAC2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2cc(N)ccn2)n1
InChIInChI=1S/C11H12N4O/c1-8-2-3-11(16)15(14-8)7-10-6-9(12)4-5-13-10/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyZSANCZXGGBYOFF-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.58
Rot. Bonds2

About 2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one

2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one (PubChem CID 79251475) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one
PubChem CID79251475
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2cc(N)ccn2)n1
InChIInChI=1S/C11H12N4O/c1-8-2-3-11(16)15(14-8)7-10-6-9(12)4-5-13-10/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyZSANCZXGGBYOFF-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-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one (CID 79251475) is 2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2cc(N)ccn2)n1.
What is the InChIKey of 2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one?
The InChIKey is ZSANCZXGGBYOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-2-3-11(16)15(14-8)7-10-6-9(12)4-5-13-10/h2-6H,7H2,1H3,(H2,12,13).
What are the key properties of 2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one?
2-[(4-amino-2-pyridinyl)methyl]-6-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-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 79251475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).