4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one

C10H12BrF2N3O — CID 114440775

IUPAC4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
SMILESO=c1c(Br)c(NCC(F)F)cnn1CC1CC1
InChIInChI=1S/C10H12BrF2N3O/c11-9-7(14-4-8(12)13)3-15-16(10(9)17)5-6-1-2-6/h3,6,8,14H,1-2,4-5H2
InChIKeyVZWLPWCKUHMNBC-UHFFFAOYSA-N
MW308.13 g/mol
LogP2.09
Rot. Bonds5

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

4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one (PubChem CID 114440775) has the molecular formula C10H12BrF2N3O and a molecular weight of 308.13 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
PubChem CID114440775
Molecular FormulaC10H12BrF2N3O
Molecular Weight308.13 g/mol
Exact Mass307.01
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
SMILESO=c1c(Br)c(NCC(F)F)cnn1CC1CC1
InChIInChI=1S/C10H12BrF2N3O/c11-9-7(14-4-8(12)13)3-15-16(10(9)17)5-6-1-2-6/h3,6,8,14H,1-2,4-5H2
InChIKeyVZWLPWCKUHMNBC-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914
4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-3-methoxypropyl)amino]pyridazin-3-one
CID 114438543
5-[(2-amino-3-hydroxybutyl)amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114445579
4-bromo-2-(cyclopropylmethyl)-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one
CID 106287739
4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one
CID 107153488
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432064
4-bromo-2-(cyclopropylmethyl)-5-[(3-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114443213
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904
4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one
CID 114432134
4-bromo-5-[(4-chlorophenyl)methylamino]-2-(cyclopropylmethyl)pyridazin-3-one
CID 114431110

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one (CID 114440775) is 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one is O=c1c(Br)c(NCC(F)F)cnn1CC1CC1.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one?
The InChIKey is VZWLPWCKUHMNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N3O/c11-9-7(14-4-8(12)13)3-15-16(10(9)17)5-6-1-2-6/h3,6,8,14H,1-2,4-5H2.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one has a molecular weight of 308.13 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one is sourced from PubChem (CID 114440775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).