2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide

C8H12N4O2 — CID 106548443

IUPAC2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1cnn(CC(N)C(N)=O)c(=O)c1
InChIInChI=1S/C8H12N4O2/c1-5-2-7(13)12(11-3-5)4-6(9)8(10)14/h2-3,6H,4,9H2,1H3,(H2,10,14)
InChIKeyJCPMYBUYZMWBQC-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.64
Rot. Bonds3

About 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide

2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 106548443) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide
PubChem CID106548443
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1cnn(CC(N)C(N)=O)c(=O)c1
InChIInChI=1S/C8H12N4O2/c1-5-2-7(13)12(11-3-5)4-6(9)8(10)14/h2-3,6H,4,9H2,1H3,(H2,10,14)
InChIKeyJCPMYBUYZMWBQC-UHFFFAOYSA-N
XLogP-1.64
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 58988011
6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311
2-Amino-3-(6-oxopyridazin-1-yl)propanamide
CID 81941147
2-(3-Amino-2-methylpropyl)-5-methylpyridazin-3-one
CID 106548353
2-(3-Aminopropyl)-5-methylpyridazin-3-one
CID 106548358
2-Amino-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548381
2-(2-Aminopropyl)-5-methylpyridazin-3-one
CID 106548500
5-Methyl-2-[3-(methylamino)butyl]pyridazin-3-one
CID 106548506
2-(2-Amino-3-methylbutyl)-5-methylpyridazin-3-one
CID 106548511
2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one
CID 106548512
2-[2-(Ethylamino)butyl]-5-methylpyridazin-3-one
CID 106548522
5-Methyl-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 106548525

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide (CID 106548443) is 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide is Cc1cnn(CC(N)C(N)=O)c(=O)c1.
What is the InChIKey of 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is JCPMYBUYZMWBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-2-7(13)12(11-3-5)4-6(9)8(10)14/h2-3,6H,4,9H2,1H3,(H2,10,14).
What are the key properties of 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide?
2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 196.21 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 106548443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).