5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one

C11H17BrN4O — CID 115576964

IUPAC5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
SMILESCCN1CCCC1CNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C11H17BrN4O/c1-2-16-5-3-4-8(16)6-13-9-7-14-15-11(17)10(9)12/h7-8H,2-6H2,1H3,(H2,13,15,17)
InChIKeyAWNVKZZLECJYGR-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.43
Rot. Bonds4

About 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one

5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one (PubChem CID 115576964) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
PubChem CID115576964
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
SMILESCCN1CCCC1CNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C11H17BrN4O/c1-2-16-5-3-4-8(16)6-13-9-7-14-15-11(17)10(9)12/h7-8H,2-6H2,1H3,(H2,13,15,17)
InChIKeyAWNVKZZLECJYGR-UHFFFAOYSA-N
XLogP1.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82238130
5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one
CID 133417471
5-bromo-4-[(1,1-dioxothiolan-2-yl)methylamino]-1H-pyridazin-6-one
CID 114386200
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531544
4-chloro-5-[(1-ethylpyrrolidin-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114432598
3-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]benzoic acid
CID 82800665
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622627
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
5-N-[(1-ethylpyrrolidin-2-yl)methyl]isoquinoline-5,8-diamine
CID 43448724
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 65485563
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one
CID 114386141

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one (CID 115576964) is 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one is CCN1CCCC1CNc1cn[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one?
The InChIKey is AWNVKZZLECJYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-2-16-5-3-4-8(16)6-13-9-7-14-15-11(17)10(9)12/h7-8H,2-6H2,1H3,(H2,13,15,17).
What are the key properties of 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one?
5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one has a molecular weight of 301.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 115576964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).