4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one

C15H25BrN4O — CID 114432134

IUPAC4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one
SMILESCN(C)CC(C)(C)CNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C15H25BrN4O/c1-15(2,10-19(3)4)9-17-12-7-18-20(8-11-5-6-11)14(21)13(12)16/h7,11,17H,5-6,8-10H2,1-4H3
InChIKeyUFNXMCKBNOGVTP-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.42
Rot. Bonds7

About 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one

4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one (PubChem CID 114432134) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one
PubChem CID114432134
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one
SMILESCN(C)CC(C)(C)CNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C15H25BrN4O/c1-15(2,10-19(3)4)9-17-12-7-18-20(8-11-5-6-11)14(21)13(12)16/h7,11,17H,5-6,8-10H2,1-4H3
InChIKeyUFNXMCKBNOGVTP-UHFFFAOYSA-N
XLogP2.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
CID 114440775
4-bromo-5-(2-cyclopropylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439471
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904
4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914
4-bromo-2-(cyclopropylmethyl)-5-[(3-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114443213
4-bromo-2-(cyclopropylmethyl)-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444121
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432064
4-bromo-2-(cyclopropylmethyl)-5-[(2-methylcyclohexyl)methylamino]pyridazin-3-one
CID 114436117

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one (CID 114432134) is 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one is CN(C)CC(C)(C)CNc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one?
The InChIKey is UFNXMCKBNOGVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-15(2,10-19(3)4)9-17-12-7-18-20(8-11-5-6-11)14(21)13(12)16/h7,11,17H,5-6,8-10H2,1-4H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.42, 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-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one is sourced from PubChem (CID 114432134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).