5-amino-2-pentylpyridazin-3-one

C9H15N3O — CID 103218330

IUPAC5-amino-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3
InChIKeyJMDMPZIJGJTFOL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds4

About 5-amino-2-pentylpyridazin-3-one

5-amino-2-pentylpyridazin-3-one (PubChem CID 103218330) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-amino-2-pentylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-pentylpyridazin-3-one
PubChem CID103218330
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-amino-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3
InChIKeyJMDMPZIJGJTFOL-UHFFFAOYSA-N
XLogP1.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 10558626
2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
2-Pentyl-4-amino-3(2h)-pyridazinone
CID 129708493
5-(1-Piperidinyl)-3(2H)-pyridazinone
CID 13103623
2-methyl-5-(piperidin-1-yl)pyridazin-3(2H)-one
CID 13103626
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
4-piperidin-1-yl-1H-pyridazin-6-one;hydrochloride
CID 23448479
5-(Dimethylamino)-2-ethylpyridazin-3-one
CID 167137562
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
2-Methyl-5-(methylamino)pyridazin-3(2H)-one
CID 10510928

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-pentylpyridazin-3-one?
The IUPAC name of 5-amino-2-pentylpyridazin-3-one (CID 103218330) is 5-amino-2-pentylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-pentylpyridazin-3-one?
The canonical SMILES for 5-amino-2-pentylpyridazin-3-one is CCCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-pentylpyridazin-3-one?
The InChIKey is JMDMPZIJGJTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-5-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3.
What are the key properties of 5-amino-2-pentylpyridazin-3-one?
5-amino-2-pentylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-pentylpyridazin-3-one is sourced from PubChem (CID 103218330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).