N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide

C11H17N3O2 — CID 115875451

IUPACN-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCC(CO)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C11H17N3O2/c1-4-9(6-15)12-11(16)10-5-7(2)13-14-8(10)3/h5,9,15H,4,6H2,1-3H3,(H,12,16)
InChIKeyZNPLNRHQOCKQJU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.59
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide

N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 115875451) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID115875451
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCC(CO)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C11H17N3O2/c1-4-9(6-15)12-11(16)10-5-7(2)13-14-8(10)3/h5,9,15H,4,6H2,1-3H3,(H,12,16)
InChIKeyZNPLNRHQOCKQJU-UHFFFAOYSA-N
XLogP0.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548731
N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671449
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 103878997
N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344554
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
CID 104624859
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
CID 104670537
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide (CID 115875451) is N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide is CCC(CO)NC(=O)c1cc(C)nnc1C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is ZNPLNRHQOCKQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-9(6-15)12-11(16)10-5-7(2)13-14-8(10)3/h5,9,15H,4,6H2,1-3H3,(H,12,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 115875451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).