2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C15H25N5O — CID 114393716

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CC3(CCN)CC3)c(=O)c2)CC1
InChIInChI=1S/C15H25N5O/c1-18-6-8-19(9-7-18)13-10-14(21)20(17-11-13)12-15(2-3-15)4-5-16/h10-11H,2-9,12,16H2,1H3
InChIKeyALFBTZGXWVKZMY-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.12
Rot. Bonds5

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 114393716) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID114393716
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CC3(CCN)CC3)c(=O)c2)CC1
InChIInChI=1S/C15H25N5O/c1-18-6-8-19(9-7-18)13-10-14(21)20(17-11-13)12-15(2-3-15)4-5-16/h10-11H,2-9,12,16H2,1H3
InChIKeyALFBTZGXWVKZMY-UHFFFAOYSA-N
XLogP0.12
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100
N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202150
N-cyclopropyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202178
"N-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4-piperidyl}-2,2-dimethylbutanamide"
CID 91911844
3,3-Dimethyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924031
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3,3-dimethylbutanamide
CID 91924056
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2,2-dimethylbutanamide
CID 91924060
N-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-3,3-dimethylbutanamide
CID 91924074
5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3(2H)-one
CID 72900645
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 114393623
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114393657

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 114393716) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cnn(CC3(CCN)CC3)c(=O)c2)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is ALFBTZGXWVKZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-18-6-8-19(9-7-18)13-10-14(21)20(17-11-13)12-15(2-3-15)4-5-16/h10-11H,2-9,12,16H2,1H3.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 291.40 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114393716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).