methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate

C14H22N2O5 — CID 171556890

IUPACmethyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate
SMILESCOC(=O)C1C=CC(CC[C@@H]2CC(O)C(O)C(C)O2)=NN1
InChIInChI=1S/C14H22N2O5/c1-8-13(18)12(17)7-10(21-8)5-3-9-4-6-11(16-15-9)14(19)20-2/h4,6,8,10-13,16-18H,3,5,7H2,1-2H3/t8?,10-,11?,12?,13?/m1/s1
InChIKeyZQRJTLQDEKEPNP-IHFIUAHKSA-N
MW298.34 g/mol
LogP-0.28
Rot. Bonds4

About methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate

methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate (PubChem CID 171556890) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate
PubChem CID171556890
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Namemethyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate
SMILESCOC(=O)C1C=CC(CC[C@@H]2CC(O)C(O)C(C)O2)=NN1
InChIInChI=1S/C14H22N2O5/c1-8-13(18)12(17)7-10(21-8)5-3-9-4-6-11(16-15-9)14(19)20-2/h4,6,8,10-13,16-18H,3,5,7H2,1-2H3/t8?,10-,11?,12?,13?/m1/s1
InChIKeyZQRJTLQDEKEPNP-IHFIUAHKSA-N
XLogP-0.28
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate with MolForge

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Related Compounds

methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde
CID 142172480
methyl (3R,4S,6R)-3,4-dihydroxy-6-methyloxane-2-carboxylate
CID 145108334
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
methyl (6S)-1,6-dihydropyridazine-6-carboxylate
CID 10701901
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140
methyl (2S,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylate
CID 59974138
(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol
CID 142725701
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate?
The IUPAC name of methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate (CID 171556890) is methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate.
What is the SMILES notation for methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate?
The canonical SMILES for methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate is COC(=O)C1C=CC(CC[C@@H]2CC(O)C(O)C(C)O2)=NN1.
What is the InChIKey of methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate?
The InChIKey is ZQRJTLQDEKEPNP-IHFIUAHKSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-8-13(18)12(17)7-10(21-8)5-3-9-4-6-11(16-15-9)14(19)20-2/h4,6,8,10-13,16-18H,3,5,7H2,1-2H3/t8?,10-,11?,12?,13?/m1/s1.
What are the key properties of methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate?
methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate has a molecular weight of 298.34 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate is sourced from PubChem (CID 171556890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).