N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C12H21N3O3 — CID 107202460

IUPACN-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(CCCCCO)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H21N3O3/c1-14(8-4-3-5-9-16)12(18)10-6-7-11(17)15(2)13-10/h16H,3-9H2,1-2H3
InChIKeyUCXSQUGRCSDMQW-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.22
Rot. Bonds6

About N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 107202460) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID107202460
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(CCCCCO)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H21N3O3/c1-14(8-4-3-5-9-16)12(18)10-6-7-11(17)15(2)13-10/h16H,3-9H2,1-2H3
InChIKeyUCXSQUGRCSDMQW-UHFFFAOYSA-N
XLogP0.22
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.22
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

6-Oxo-1-propyl-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CID 16228613
1-Butyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 16778875
6-(4-Hydroxypiperidine-1-carbonyl)-2-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 43416074
6-[2-(Hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 43421650
6-[3-(Hydroxymethyl)piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 43422423
6-Oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid
CID 43563755
1-Hexyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563758
1-[2-(Diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563800
N-(2-hydroxyethyl)-1-methyl-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 43573792
N-cyclopropyl-N-(2-hydroxyethyl)-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 43577383
N-(3-hydroxypropyl)-1-methyl-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 54916717
N-(2-hydroxyethyl)-1-methyl-6-oxo-N-pentan-3-yl-4,5-dihydropyridazine-3-carboxamide
CID 54994184

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 107202460) is N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN(CCCCCO)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is UCXSQUGRCSDMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-14(8-4-3-5-9-16)12(18)10-6-7-11(17)15(2)13-10/h16H,3-9H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 107202460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).