(3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide

C12H20N4O2 — CID 104893312

IUPAC(3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H20N4O2/c1-8(2)5-9(7-13)6-12(18)14-10-3-4-11(17)16-15-10/h3-4,8-9H,5-7,13H2,1-2H3,(H,16,17)(H,14,15,18)/t9-/m0/s1
InChIKeyXVQZLGUQAVMQBP-VIFPVBQESA-N
MW252.32 g/mol
LogP0.72
Rot. Bonds6

About (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide

(3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide (PubChem CID 104893312) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
PubChem CID104893312
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H20N4O2/c1-8(2)5-9(7-13)6-12(18)14-10-3-4-11(17)16-15-10/h3-4,8-9H,5-7,13H2,1-2H3,(H,16,17)(H,14,15,18)/t9-/m0/s1
InChIKeyXVQZLGUQAVMQBP-VIFPVBQESA-N
XLogP0.72
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 90883841
2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893300
(2S)-2-amino-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 104893305
(2S,3S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 104893311
(2S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 104893316
(2R)-2-amino-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 104904091
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide
CID 104963823
2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
CID 106740728
3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide
CID 107068638
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 107146665
2-(aminomethyl)-2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
CID 113563863
1-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide
CID 113563864

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide (CID 104893312) is (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide is CC(C)C[C@H](CN)CC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
The InChIKey is XVQZLGUQAVMQBP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)5-9(7-13)6-12(18)14-10-3-4-11(17)16-15-10/h3-4,8-9H,5-7,13H2,1-2H3,(H,16,17)(H,14,15,18)/t9-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
(3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide has a molecular weight of 252.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide is sourced from PubChem (CID 104893312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).