N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C9H15N3O3 — CID 43418669

IUPACN-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(CO)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H15N3O3/c1-6(5-13)10-9(15)7-3-4-8(14)12(2)11-7/h6,13H,3-5H2,1-2H3,(H,10,15)
InChIKeyXYIATGGALIPRSQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.91
Rot. Bonds3

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

N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 43418669) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID43418669
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(CO)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H15N3O3/c1-6(5-13)10-9(15)7-3-4-8(14)12(2)11-7/h6,13H,3-5H2,1-2H3,(H,10,15)
InChIKeyXYIATGGALIPRSQ-UHFFFAOYSA-N
XLogP-0.91
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 43418669) is N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(CO)NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XYIATGGALIPRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(5-13)10-9(15)7-3-4-8(14)12(2)11-7/h6,13H,3-5H2,1-2H3,(H,10,15).
What are the key properties of N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 43418669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).