4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one

C12H19BrN4O2 — CID 103549434

IUPAC4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2COCCN2)c(Br)c1=O
InChIInChI=1S/C12H19BrN4O2/c1-2-4-17-12(18)11(13)10(7-16-17)15-6-9-8-19-5-3-14-9/h7,9,14-15H,2-6,8H2,1H3
InChIKeyHYHIXTCRJNERDI-UHFFFAOYSA-N
MW331.21 g/mol
LogP0.82
Rot. Bonds5

About 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one

4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one (PubChem CID 103549434) has the molecular formula C12H19BrN4O2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one
PubChem CID103549434
Molecular FormulaC12H19BrN4O2
Molecular Weight331.21 g/mol
Exact Mass330.07
IUPAC Name4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2COCCN2)c(Br)c1=O
InChIInChI=1S/C12H19BrN4O2/c1-2-4-17-12(18)11(13)10(7-16-17)15-6-9-8-19-5-3-14-9/h7,9,14-15H,2-6,8H2,1H3
InChIKeyHYHIXTCRJNERDI-UHFFFAOYSA-N
XLogP0.82
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114439861
4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 107414035
4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one
CID 114445240
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-5-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438212
4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 106136679
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-propylpyridazin-3-one
CID 106996089
4-bromo-2-butyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440486
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 114442437
4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one (CID 103549434) is 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one is CCCn1ncc(NCC2COCCN2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one?
The InChIKey is HYHIXTCRJNERDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2/c1-2-4-17-12(18)11(13)10(7-16-17)15-6-9-8-19-5-3-14-9/h7,9,14-15H,2-6,8H2,1H3.
What are the key properties of 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one?
4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one has a molecular weight of 331.21 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 103549434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).