5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one

C10H15BrN4O — CID 114446694

IUPAC5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
SMILESCn1ncc(NCC(N)C2CC2)c(Br)c1=O
InChIInChI=1S/C10H15BrN4O/c1-15-10(16)9(11)8(5-14-15)13-4-7(12)6-2-3-6/h5-7,13H,2-4,12H2,1H3
InChIKeyAPMVCAPBGNSDJC-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.69
Rot. Bonds4

About 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one

5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one (PubChem CID 114446694) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
PubChem CID114446694
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
SMILESCn1ncc(NCC(N)C2CC2)c(Br)c1=O
InChIInChI=1S/C10H15BrN4O/c1-15-10(16)9(11)8(5-14-15)13-4-7(12)6-2-3-6/h5-7,13H,2-4,12H2,1H3
InChIKeyAPMVCAPBGNSDJC-UHFFFAOYSA-N
XLogP0.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446718
4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 113235058
4-bromo-2-methyl-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 115764304
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107419227
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
CID 114443868
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114442181
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one?
The IUPAC name of 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one (CID 114446694) is 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one is Cn1ncc(NCC(N)C2CC2)c(Br)c1=O.
What is the InChIKey of 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one?
The InChIKey is APMVCAPBGNSDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-15-10(16)9(11)8(5-14-15)13-4-7(12)6-2-3-6/h5-7,13H,2-4,12H2,1H3.
What are the key properties of 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one?
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one has a molecular weight of 287.16 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one is sourced from PubChem (CID 114446694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).