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

C10H16N4O2 — CID 107146665

IUPAC(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-2-3-4-7(11)10(16)12-8-5-6-9(15)14-13-8/h5-7H,2-4,11H2,1H3,(H,14,15)(H,12,13,16)/t7-/m0/s1
InChIKeyUIXJVUQWVXUVCD-ZETCQYMHSA-N
MW224.26 g/mol
LogP0.23
Rot. Bonds5

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

(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide (PubChem CID 107146665) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
PubChem CID107146665
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-2-3-4-7(11)10(16)12-8-5-6-9(15)14-13-8/h5-7H,2-4,11H2,1H3,(H,14,15)(H,12,13,16)/t7-/m0/s1
InChIKeyUIXJVUQWVXUVCD-ZETCQYMHSA-N
XLogP0.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.23
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)hexanamide?
The IUPAC name of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide (CID 107146665) is (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
The InChIKey is UIXJVUQWVXUVCD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-4-7(11)10(16)12-8-5-6-9(15)14-13-8/h5-7H,2-4,11H2,1H3,(H,14,15)(H,12,13,16)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide has a molecular weight of 224.26 g/mol, XLogP of 0.23, 5 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)hexanamide is sourced from PubChem (CID 107146665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).