4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one

C14H25BrN4O2 — CID 106149044

IUPAC4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
SMILESCCCCn1ncc(NCC(C)(O)CN(C)C)c(Br)c1=O
InChIInChI=1S/C14H25BrN4O2/c1-5-6-7-19-13(20)12(15)11(8-17-19)16-9-14(2,21)10-18(3)4/h8,16,21H,5-7,9-10H2,1-4H3
InChIKeyNOIQDENOIURPNR-UHFFFAOYSA-N
MW361.28 g/mol
LogP1.53
Rot. Bonds8

About 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one

4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one (PubChem CID 106149044) has the molecular formula C14H25BrN4O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
PubChem CID106149044
Molecular FormulaC14H25BrN4O2
Molecular Weight361.28 g/mol
Exact Mass360.12
IUPAC Name4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
SMILESCCCCn1ncc(NCC(C)(O)CN(C)C)c(Br)c1=O
InChIInChI=1S/C14H25BrN4O2/c1-5-6-7-19-13(20)12(15)11(8-17-19)16-9-14(2,21)10-18(3)4/h8,16,21H,5-7,9-10H2,1-4H3
InChIKeyNOIQDENOIURPNR-UHFFFAOYSA-N
XLogP1.53
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
3-[2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 114441187
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338803
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
4-bromo-2-butyl-5-[(1-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114438893
4-bromo-2-butyl-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430875
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one (CID 106149044) is 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one is CCCCn1ncc(NCC(C)(O)CN(C)C)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one?
The InChIKey is NOIQDENOIURPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4O2/c1-5-6-7-19-13(20)12(15)11(8-17-19)16-9-14(2,21)10-18(3)4/h8,16,21H,5-7,9-10H2,1-4H3.
What are the key properties of 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one?
4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one has a molecular weight of 361.28 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one is sourced from PubChem (CID 106149044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).