4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one

C9H12N4O — CID 168661332

IUPAC4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C9H12N4O/c10-4-7-3-9(14)13(6-7)8-1-2-11-12-5-8/h1-2,5,7H,3-4,6,10H2
InChIKeyQMSUAXPSBNSNFG-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.21
Rot. Bonds2

About 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one

4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one (PubChem CID 168661332) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one
PubChem CID168661332
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C9H12N4O/c10-4-7-3-9(14)13(6-7)8-1-2-11-12-5-8/h1-2,5,7H,3-4,6,10H2
InChIKeyQMSUAXPSBNSNFG-UHFFFAOYSA-N
XLogP-0.21
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propanamide, 2,2-dimethyl-N-4-pyridazinyl-
CID 10012501
methyl N-[(2S)-3-methyl-1-oxo-1-(pyridazin-4-ylamino)butan-2-yl]carbamate
CID 126828027
4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide
CID 151047488
(5-Oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
1-[2-(Pyridazin-4-ylamino)ethyl]piperazin-2-one
CID 53997267
2-methyl-N-pyridazin-4-ylprop-2-enamide
CID 59502647
2-methyl-N-pyridazin-4-ylpropanamide
CID 59729258
1-[2-(Pyridazin-4-ylamino)-ethyl]-piperazin-2-one hydrochloride
CID 69026185
2-pyridazin-4-yl-4H-pyrazol-3-one
CID 70107615
1-Pyridazin-4-ylazetidine-3-carboxamide
CID 90012605
N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012607
N-pyridazin-4-ylcyclopropanecarboxamide
CID 90198515

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one (CID 168661332) is 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one is NCC1CC(=O)N(c2ccnnc2)C1.
What is the InChIKey of 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The InChIKey is QMSUAXPSBNSNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-4-7-3-9(14)13(6-7)8-1-2-11-12-5-8/h1-2,5,7H,3-4,6,10H2.
What are the key properties of 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 168661332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).