3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one

C11H12N4O2 — CID 121205932

IUPAC3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
SMILESCOc1ncccc1CNc1ccc(=O)[nH]n1
InChIInChI=1S/C11H12N4O2/c1-17-11-8(3-2-6-12-11)7-13-9-4-5-10(16)15-14-9/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyRGBNDIPWXWAPGN-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.79
Rot. Bonds4

About 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one

3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one (PubChem CID 121205932) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
PubChem CID121205932
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
SMILESCOc1ncccc1CNc1ccc(=O)[nH]n1
InChIInChI=1S/C11H12N4O2/c1-17-11-8(3-2-6-12-11)7-13-9-4-5-10(16)15-14-9/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyRGBNDIPWXWAPGN-UHFFFAOYSA-N
XLogP0.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
CID 61312329
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one
CID 121205953
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016144
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
CID 104776820
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one (CID 121205932) is 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one is COc1ncccc1CNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is RGBNDIPWXWAPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-11-8(3-2-6-12-11)7-13-9-4-5-10(16)15-14-9/h2-6H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 232.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 121205932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).