5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one

C13H21N5O — CID 45218638

IUPAC5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1CC1CCNC1
InChIInChI=1S/C13H21N5O/c19-13-7-12(17-5-3-14-4-6-17)9-16-18(13)10-11-1-2-15-8-11/h7,9,11,14-15H,1-6,8,10H2
InChIKeyIDSANORRDCFZNC-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.74
Rot. Bonds3

About 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one

5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one (PubChem CID 45218638) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
PubChem CID45218638
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1CC1CCNC1
InChIInChI=1S/C13H21N5O/c19-13-7-12(17-5-3-14-4-6-17)9-16-18(13)10-11-1-2-15-8-11/h7,9,11,14-15H,1-6,8,10H2
InChIKeyIDSANORRDCFZNC-UHFFFAOYSA-N
XLogP-0.74
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-piperidinyl)propanamide
CID 70739487
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]-N-[2-(piperidin-1-YL)ethyl]pyrrolidine-3-carboxamide
CID 91909578
3-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876543
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one (CID 45218638) is 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one is O=c1cc(N2CCNCC2)cnn1CC1CCNC1.
What is the InChIKey of 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The InChIKey is IDSANORRDCFZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13-7-12(17-5-3-14-4-6-17)9-16-18(13)10-11-1-2-15-8-11/h7,9,11,14-15H,1-6,8,10H2.
What are the key properties of 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 45218638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).