4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one

C12H18BrN3O2 — CID 114432904

IUPAC4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
SMILESCOCCCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C12H18BrN3O2/c1-18-6-2-5-14-10-7-15-16(8-9-3-4-9)12(17)11(10)13/h7,9,14H,2-6,8H2,1H3
InChIKeyGFFLPKDCEVDGQO-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.86
Rot. Bonds7

About 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one

4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one (PubChem CID 114432904) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
PubChem CID114432904
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
SMILESCOCCCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C12H18BrN3O2/c1-18-6-2-5-14-10-7-15-16(8-9-3-4-9)12(17)11(10)13/h7,9,14H,2-6,8H2,1H3
InChIKeyGFFLPKDCEVDGQO-UHFFFAOYSA-N
XLogP1.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444121
4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-3-methoxypropyl)amino]pyridazin-3-one
CID 114438543
2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441278
4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434107
4-bromo-2-(cyclopropylmethyl)-5-[2-[ethyl(methyl)amino]ethylamino]pyridazin-3-one
CID 114437293
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide
CID 106239365
4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
CID 114440462
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide
CID 114441623
4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
CID 114440775

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one (CID 114432904) is 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one is COCCCNc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one?
The InChIKey is GFFLPKDCEVDGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-18-6-2-5-14-10-7-15-16(8-9-3-4-9)12(17)11(10)13/h7,9,14H,2-6,8H2,1H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one has a molecular weight of 316.20 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one is sourced from PubChem (CID 114432904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).