2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide

C9H15N5O2 — CID 114393870

IUPAC2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide
SMILESCN(C)c1cnn(CC(N)C(N)=O)c(=O)c1
InChIInChI=1S/C9H15N5O2/c1-13(2)6-3-8(15)14(12-4-6)5-7(10)9(11)16/h3-4,7H,5,10H2,1-2H3,(H2,11,16)
InChIKeyXTPPUYNYDIBPPL-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.88
Rot. Bonds4

About 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide

2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide (PubChem CID 114393870) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide
PubChem CID114393870
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide
SMILESCN(C)c1cnn(CC(N)C(N)=O)c(=O)c1
InChIInChI=1S/C9H15N5O2/c1-13(2)6-3-8(15)14(12-4-6)5-7(10)9(11)16/h3-4,7H,5,10H2,1-2H3,(H2,11,16)
InChIKeyXTPPUYNYDIBPPL-UHFFFAOYSA-N
XLogP-1.88
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 113579289
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(dimethylamino)pyridazin-3-one
CID 114393489
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393631
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide (CID 114393870) is 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide is CN(C)c1cnn(CC(N)C(N)=O)c(=O)c1.
What is the InChIKey of 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is XTPPUYNYDIBPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-13(2)6-3-8(15)14(12-4-6)5-7(10)9(11)16/h3-4,7H,5,10H2,1-2H3,(H2,11,16).
What are the key properties of 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide?
2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 225.25 g/mol, XLogP of -1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 114393870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).