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

C9H12ClN3O3 — CID 167518030

IUPAC3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C9H12ClN3O3/c1-5(4-16-2)11-8(14)6-3-7(10)12-13-9(6)15/h3,5H,4H2,1-2H3,(H,11,14)(H,13,15)/t5-/m0/s1
InChIKeyKBBXIRASPHMVTH-YFKPBYRVSA-N
MW245.67 g/mol
LogP0.19
Rot. Bonds4

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

3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 167518030) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID167518030
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C9H12ClN3O3/c1-5(4-16-2)11-8(14)6-3-7(10)12-13-9(6)15/h3,5H,4H2,1-2H3,(H,11,14)(H,13,15)/t5-/m0/s1
InChIKeyKBBXIRASPHMVTH-YFKPBYRVSA-N
XLogP0.19
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-oxo-1H-pyridazine-5-carboxamide
CID 123495539
6-oxo-N-propan-2-yl-1H-pyridazine-5-carboxamide
CID 123967164
3-chloro-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 138634154
3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
CID 138634155
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 138634157
3-chloro-N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
CID 138634158
N-[(2S)-1-hydroxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 149646999
N-[(2S)-1-methoxypropan-2-yl]-3-methyl-6-oxo-1H-pyridazine-5-carboxamide
CID 167518055

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide (CID 167518030) is 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide is COC[C@H](C)NC(=O)c1cc(Cl)n[nH]c1=O.
What is the InChIKey of 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is KBBXIRASPHMVTH-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-5(4-16-2)11-8(14)6-3-7(10)12-13-9(6)15/h3,5H,4H2,1-2H3,(H,11,14)(H,13,15)/t5-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide?
3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 245.67 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 167518030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).