4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

C10H16N4O — CID 46848991

IUPAC4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCC2)c(CN)c1=O
InChIInChI=1S/C10H16N4O/c1-13-10(15)8(6-11)9(7-12-13)14-4-2-3-5-14/h7H,2-6,11H2,1H3
InChIKeyIQZCEAUDZSBXFO-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.16
Rot. Bonds2

About 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 46848991) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID46848991
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCC2)c(CN)c1=O
InChIInChI=1S/C10H16N4O/c1-13-10(15)8(6-11)9(7-12-13)14-4-2-3-5-14/h7H,2-6,11H2,1H3
InChIKeyIQZCEAUDZSBXFO-UHFFFAOYSA-N
XLogP-0.16
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Aminomethyl)-5-(ethylamino)-2-methylpyridazin-3(2h)-one
CID 46848463
2-Methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile
CID 46848988
5-methyl-4-(3-methylpyrrolidin-1-yl)-1H-pyridazin-6-one
CID 157675168
5-methyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one
CID 169890081
N~3~-acetyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70711027
3-acetamido-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 96364251
3-acetamido-N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 96364252
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103073044
2-[2-(Propylaminomethyl)prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103073046
2-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103073047
2-[2-(Aminomethyl)prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 113771961
2-[2-(Methylaminomethyl)prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 113771962

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (CID 46848991) is 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is Cn1ncc(N2CCCC2)c(CN)c1=O.
What is the InChIKey of 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is IQZCEAUDZSBXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-10(15)8(6-11)9(7-12-13)14-4-2-3-5-14/h7H,2-6,11H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 46848991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).