5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one

C10H16N4O — CID 117106006

IUPAC5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
SMILESCN1CCCC1Cc1cc(N)c(=O)[nH]n1
InChIInChI=1S/C10H16N4O/c1-14-4-2-3-8(14)5-7-6-9(11)10(15)13-12-7/h6,8H,2-5H2,1H3,(H2,11,12)(H,13,15)
InChIKeyUZUHVPFPCFDJIS-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.01
Rot. Bonds2

About 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one

5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one (PubChem CID 117106006) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
PubChem CID117106006
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
SMILESCN1CCCC1Cc1cc(N)c(=O)[nH]n1
InChIInChI=1S/C10H16N4O/c1-14-4-2-3-8(14)5-7-6-9(11)10(15)13-12-7/h6,8H,2-5H2,1H3,(H2,11,12)(H,13,15)
InChIKeyUZUHVPFPCFDJIS-UHFFFAOYSA-N
XLogP-0.01
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one
CID 117105458
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde
CID 115092706
5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one
CID 117105901
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 115114321
4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 68982243
6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
CID 136731490
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one (CID 117106006) is 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one is CN1CCCC1Cc1cc(N)c(=O)[nH]n1.
What is the InChIKey of 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one?
The InChIKey is UZUHVPFPCFDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-4-2-3-8(14)5-7-6-9(11)10(15)13-12-7/h6,8H,2-5H2,1H3,(H2,11,12)(H,13,15).
What are the key properties of 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one?
5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 117106006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).