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

C8H12N4O2 — CID 104893302

IUPAC(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O2/c1-2-5(9)8(14)10-6-3-4-7(13)12-11-6/h3-5H,2,9H2,1H3,(H,12,13)(H,10,11,14)/t5-/m0/s1
InChIKeyMATGMMAPSHBKTM-YFKPBYRVSA-N
MW196.21 g/mol
LogP-0.55
Rot. Bonds3

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

(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide (PubChem CID 104893302) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide
PubChem CID104893302
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O2/c1-2-5(9)8(14)10-6-3-4-7(13)12-11-6/h3-5H,2,9H2,1H3,(H,12,13)(H,10,11,14)/t5-/m0/s1
InChIKeyMATGMMAPSHBKTM-YFKPBYRVSA-N
XLogP-0.55
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide (CID 104893302) is (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide is CC[C@H](N)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The InChIKey is MATGMMAPSHBKTM-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-5(9)8(14)10-6-3-4-7(13)12-11-6/h3-5H,2,9H2,1H3,(H,12,13)(H,10,11,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide has a molecular weight of 196.21 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)butanamide is sourced from PubChem (CID 104893302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).