N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide

C10H15N3O3 — CID 167518055

IUPACN-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(C)n[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-6-4-8(10(15)13-12-6)9(14)11-7(2)5-16-3/h4,7H,5H2,1-3H3,(H,11,14)(H,13,15)/t7-/m0/s1
InChIKeyRRXQOADEHMMXOS-ZETCQYMHSA-N
MW225.25 g/mol
LogP-0.16
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 167518055) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID167518055
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(C)n[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-6-4-8(10(15)13-12-6)9(14)11-7(2)5-16-3/h4,7H,5H2,1-3H3,(H,11,14)(H,13,15)/t7-/m0/s1
InChIKeyRRXQOADEHMMXOS-ZETCQYMHSA-N
XLogP-0.16
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
3-methyl-6-oxo-N-prop-2-ynyl-1H-pyridazine-5-carboxamide
CID 132238897
3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 167518030
1-(2-methoxyethyl)-N-(3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 30335077
N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 30386755
N-(3-methoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 30532647
1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide
CID 30790180
1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 32616714
1-(2-methoxyethyl)-N-[(2R)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 32616717
N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32953057
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34832168
N-[(2R)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34832174

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide (CID 167518055) is N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide is COC[C@H](C)NC(=O)c1cc(C)n[nH]c1=O.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is RRXQOADEHMMXOS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-4-8(10(15)13-12-6)9(14)11-7(2)5-16-3/h4,7H,5H2,1-3H3,(H,11,14)(H,13,15)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 167518055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).