N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide

C9H13N3O2 — CID 131169237

IUPACN-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@H](C)O)nn1
InChIInChI=1S/C9H13N3O2/c1-6-3-4-8(12-11-6)9(14)10-5-7(2)13/h3-4,7,13H,5H2,1-2H3,(H,10,14)/t7-/m0/s1
InChIKeyXQXGLSAZVXTFRQ-ZETCQYMHSA-N
MW195.22 g/mol
LogP-0.10
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide

N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide (PubChem CID 131169237) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide
PubChem CID131169237
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@H](C)O)nn1
InChIInChI=1S/C9H13N3O2/c1-6-3-4-8(12-11-6)9(14)10-5-7(2)13/h3-4,7,13H,5H2,1-2H3,(H,10,14)/t7-/m0/s1
InChIKeyXQXGLSAZVXTFRQ-ZETCQYMHSA-N
XLogP-0.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-propylpyridazine-3-carboxamide
CID 110705181
N-(2-hydroxy-2-methylpropyl)-6-methylpyridazine-3-carboxamide
CID 118545198
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
6-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111165
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
CID 109399314

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide (CID 131169237) is N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide is Cc1ccc(C(=O)NC[C@H](C)O)nn1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide?
The InChIKey is XQXGLSAZVXTFRQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-3-4-8(12-11-6)9(14)10-5-7(2)13/h3-4,7,13H,5H2,1-2H3,(H,10,14)/t7-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide?
N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide is sourced from PubChem (CID 131169237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).