N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C9H13N3O3 — CID 43418639

IUPACN-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(CO)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H13N3O3/c1-6(5-13)10-9(15)7-3-4-8(14)12(2)11-7/h3-4,6,13H,5H2,1-2H3,(H,10,15)
InChIKeyJNNQWBSRLGVDAO-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.11
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 43418639) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID43418639
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(CO)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H13N3O3/c1-6(5-13)10-9(15)7-3-4-8(14)12(2)11-7/h3-4,6,13H,5H2,1-2H3,(H,10,15)
InChIKeyJNNQWBSRLGVDAO-UHFFFAOYSA-N
XLogP-1.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723263
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723317
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103769738
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 103769855
1-butyl-N-(3,3-difluoro-2-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 103769860
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103769978
N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103770479
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 104857111
1-butyl-N-(2,2-difluoro-3-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 104857417

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 43418639) is N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is CC(CO)NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is JNNQWBSRLGVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(5-13)10-9(15)7-3-4-8(14)12(2)11-7/h3-4,6,13H,5H2,1-2H3,(H,10,15).
What are the key properties of N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 43418639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).