methyl (6S)-1,6-dihydropyridazine-6-carboxylate

C6H8N2O2 — CID 10701901

IUPACmethyl (6S)-1,6-dihydropyridazine-6-carboxylate
SMILESCOC(=O)[C@@H]1C=CC=NN1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)5-3-2-4-7-8-5/h2-5,8H,1H3/t5-/m0/s1
InChIKeyFHJLLXKQMGONNS-YFKPBYRVSA-N
MW140.14 g/mol
LogP-0.33
Rot. Bonds1

About methyl (6S)-1,6-dihydropyridazine-6-carboxylate

methyl (6S)-1,6-dihydropyridazine-6-carboxylate (PubChem CID 10701901) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is methyl (6S)-1,6-dihydropyridazine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-1,6-dihydropyridazine-6-carboxylate
PubChem CID10701901
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namemethyl (6S)-1,6-dihydropyridazine-6-carboxylate
SMILESCOC(=O)[C@@H]1C=CC=NN1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)5-3-2-4-7-8-5/h2-5,8H,1H3/t5-/m0/s1
InChIKeyFHJLLXKQMGONNS-YFKPBYRVSA-N
XLogP-0.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,6S)-6-methyl-1,2,3,6-tetrahydropyridazine-3-carboxylate
CID 93495293
methyl (3S,6S)-6-methyl-1,2,3,6-tetrahydropyridazine-3-carboxylate
CID 93495295
methyl 1,2,3,6-tetrahydropyridine-6-carboxylate
CID 105428198
methyl 1,2,3,6-tetrahydropyridine-6-carboxylate;hydrochloride
CID 138990962
methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate
CID 142999071
methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride
CID 141352867
methyl 1,2-dihydroquinoxaline-2-carboxylate
CID 141421271
methyl (1S)-3-oxo-1,2-dihydroisoindole-1-carboxylate
CID 97359010
tetramethyl (1R,2S,3S,4S,5S,6S,7R,8S)-tricyclo[4.2.2.02,5]dec-9-ene-3,4,7,8-tetracarboxylate
CID 129426302
(1S,2R,3S,4R,7R)-3-methoxycarbonyl-7-trimethylsilylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 10659550
methyl 2,4-dimethylcyclohepta-2,4,6-triene-1-carboxylate
CID 12670722
methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate
CID 171556890

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-1,6-dihydropyridazine-6-carboxylate?
The IUPAC name of methyl (6S)-1,6-dihydropyridazine-6-carboxylate (CID 10701901) is methyl (6S)-1,6-dihydropyridazine-6-carboxylate.
What is the SMILES notation for methyl (6S)-1,6-dihydropyridazine-6-carboxylate?
The canonical SMILES for methyl (6S)-1,6-dihydropyridazine-6-carboxylate is COC(=O)[C@@H]1C=CC=NN1.
What is the InChIKey of methyl (6S)-1,6-dihydropyridazine-6-carboxylate?
The InChIKey is FHJLLXKQMGONNS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-6(9)5-3-2-4-7-8-5/h2-5,8H,1H3/t5-/m0/s1.
What are the key properties of methyl (6S)-1,6-dihydropyridazine-6-carboxylate?
methyl (6S)-1,6-dihydropyridazine-6-carboxylate has a molecular weight of 140.14 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-1,6-dihydropyridazine-6-carboxylate is sourced from PubChem (CID 10701901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).