2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone

C15H19N5O — CID 61017532

IUPAC2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)c1nncc2ccccc12
InChIInChI=1S/C15H19N5O/c1-19(11-14(21)20-8-6-16-7-9-20)15-13-5-3-2-4-12(13)10-17-18-15/h2-5,10,16H,6-9,11H2,1H3
InChIKeyCYNHGYBLNCLHLU-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.50
Rot. Bonds3

About 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone

2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 61017532) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone
PubChem CID61017532
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)c1nncc2ccccc12
InChIInChI=1S/C15H19N5O/c1-19(11-14(21)20-8-6-16-7-9-20)15-13-5-3-2-4-12(13)10-17-18-15/h2-5,10,16H,6-9,11H2,1H3
InChIKeyCYNHGYBLNCLHLU-UHFFFAOYSA-N
XLogP0.50
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
CID 114570905
5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136977630
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
CID 54960870
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62137503
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
CID 61017410
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 120835873
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone (CID 61017532) is 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)c1nncc2ccccc12.
What is the InChIKey of 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is CYNHGYBLNCLHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19(11-14(21)20-8-6-16-7-9-20)15-13-5-3-2-4-12(13)10-17-18-15/h2-5,10,16H,6-9,11H2,1H3.
What are the key properties of 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 285.35 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61017532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).