N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C12H21N3O3 — CID 113246026

IUPACN-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H21N3O3/c1-4-7-12(2,18)8-13-11(17)9-5-6-10(16)15(3)14-9/h18H,4-8H2,1-3H3,(H,13,17)
InChIKeyRLYNASSWDNEZDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.26
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 113246026) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID113246026
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H21N3O3/c1-4-7-12(2,18)8-13-11(17)9-5-6-10(16)15(3)14-9/h18H,4-8H2,1-3H3,(H,13,17)
InChIKeyRLYNASSWDNEZDA-UHFFFAOYSA-N
XLogP0.26
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 113246026) is N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCCC(C)(O)CNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is RLYNASSWDNEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-7-12(2,18)8-13-11(17)9-5-6-10(16)15(3)14-9/h18H,4-8H2,1-3H3,(H,13,17).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 113246026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).