5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one

C11H11BrN4O2 — CID 113220323

IUPAC5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CNc2cn[nH]c(=O)c2Br)cn1
InChIInChI=1S/C11H11BrN4O2/c1-18-9-3-2-7(5-14-9)4-13-8-6-15-16-11(17)10(8)12/h2-3,5-6H,4H2,1H3,(H2,13,16,17)
InChIKeyOAIMVDIEHVWVRL-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.55
Rot. Bonds4

About 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one

5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one (PubChem CID 113220323) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
PubChem CID113220323
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CNc2cn[nH]c(=O)c2Br)cn1
InChIInChI=1S/C11H11BrN4O2/c1-18-9-3-2-7(5-14-9)4-13-8-6-15-16-11(17)10(8)12/h2-3,5-6H,4H2,1H3,(H2,13,16,17)
InChIKeyOAIMVDIEHVWVRL-UHFFFAOYSA-N
XLogP1.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114051940
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114936877
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-[(4-bromophenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 78948051
3-bromo-5-chloro-2-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936473

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one (CID 113220323) is 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one is COc1ccc(CNc2cn[nH]c(=O)c2Br)cn1.
What is the InChIKey of 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is OAIMVDIEHVWVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-18-9-3-2-7(5-14-9)4-13-8-6-15-16-11(17)10(8)12/h2-3,5-6H,4H2,1H3,(H2,13,16,17).
What are the key properties of 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one?
5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 311.14 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 113220323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).