N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C10H17N3O3 — CID 94812226

IUPACN-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1
InChIKeyNVYYVNOWRGBMCS-ZETCQYMHSA-N
MW227.26 g/mol
LogP-0.25
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 94812226) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID94812226
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1
InChIKeyNVYYVNOWRGBMCS-ZETCQYMHSA-N
XLogP-0.25
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 94812226) is N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is COC[C@H](C)NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NVYYVNOWRGBMCS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 94812226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).