(2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide

C9H14N4O2 — CID 104893293

IUPAC(2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-5(2)8(10)9(15)11-6-3-4-7(14)13-12-6/h3-5,8H,10H2,1-2H3,(H,13,14)(H,11,12,15)/t8-/m1/s1
InChIKeyRWBSQBWTVZPEBT-MRVPVSSYSA-N
MW210.24 g/mol
LogP-0.31
Rot. Bonds3

About (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide

(2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide (PubChem CID 104893293) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
PubChem CID104893293
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-5(2)8(10)9(15)11-6-3-4-7(14)13-12-6/h3-5,8H,10H2,1-2H3,(H,13,14)(H,11,12,15)/t8-/m1/s1
InChIKeyRWBSQBWTVZPEBT-MRVPVSSYSA-N
XLogP-0.31
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide (CID 104893293) is (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide is CC(C)[C@@H](N)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The InChIKey is RWBSQBWTVZPEBT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5(2)8(10)9(15)11-6-3-4-7(14)13-12-6/h3-5,8H,10H2,1-2H3,(H,13,14)(H,11,12,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
(2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide has a molecular weight of 210.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide is sourced from PubChem (CID 104893293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).