2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide

C10H16N4O2 — CID 116786550

IUPAC2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-2-3-7(6-11)10(16)12-8-4-5-9(15)14-13-8/h4-5,7H,2-3,6,11H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyCGOSQYNLSWYBCX-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.08
Rot. Bonds5

About 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide

2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide (PubChem CID 116786550) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
PubChem CID116786550
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-2-3-7(6-11)10(16)12-8-4-5-9(15)14-13-8/h4-5,7H,2-3,6,11H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyCGOSQYNLSWYBCX-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide
CID 104893294
(2S)-2-amino-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 104893305
(3R)-N-(6-oxo-1H-pyridazin-3-yl)piperidine-3-carboxamide
CID 104893308
(2S,3S)-2-amino-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 104893311
(3S)-3-(aminomethyl)-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893312
(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
(3S,4S)-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)pyrrolidine-3-carboxamide
CID 105574978
2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
CID 106740728
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 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide (CID 116786550) is 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide is CCCC(CN)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
The InChIKey is CGOSQYNLSWYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-7(6-11)10(16)12-8-4-5-9(15)14-13-8/h4-5,7H,2-3,6,11H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide?
2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide has a molecular weight of 224.26 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide is sourced from PubChem (CID 116786550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).