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

C15H16BrN3O — CID 114432064

IUPAC5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
SMILESO=c1c(Br)c(NCc2ccccc2)cnn1CC1CC1
InChIInChI=1S/C15H16BrN3O/c16-14-13(17-8-11-4-2-1-3-5-11)9-18-19(15(14)20)10-12-6-7-12/h1-5,9,12,17H,6-8,10H2
InChIKeyXQQUGYMWFMUGIN-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.03
Rot. Bonds5

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

5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 114432064) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID114432064
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
SMILESO=c1c(Br)c(NCc2ccccc2)cnn1CC1CC1
InChIInChI=1S/C15H16BrN3O/c16-14-13(17-8-11-4-2-1-3-5-11)9-18-19(15(14)20)10-12-6-7-12/h1-5,9,12,17H,6-8,10H2
InChIKeyXQQUGYMWFMUGIN-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(4-chlorophenyl)methylamino]-2-(cyclopropylmethyl)pyridazin-3-one
CID 114431110
5-(benzylamino)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432062
5-(benzylamino)-4-bromo-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432047
4-bromo-5-[(4-bromothiophen-2-yl)methylamino]-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438594
4-bromo-2-(cyclopropylmethyl)-5-(1-phenylethylamino)pyridazin-3-one
CID 114431893
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
CID 114440775
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
CID 114434385
4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one
CID 114439956
4-bromo-2-(cyclopropylmethyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 114757112
4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
CID 114440462

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one (CID 114432064) is 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one is O=c1c(Br)c(NCc2ccccc2)cnn1CC1CC1.
What is the InChIKey of 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is XQQUGYMWFMUGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-14-13(17-8-11-4-2-1-3-5-11)9-18-19(15(14)20)10-12-6-7-12/h1-5,9,12,17H,6-8,10H2.
What are the key properties of 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one?
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 334.22 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 114432064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).