propyl 3,6-dimethylpyridazine-4-carboxylate

C10H14N2O2 — CID 104671102

IUPACpropyl 3,6-dimethylpyridazine-4-carboxylate
SMILESCCCOC(=O)c1cc(C)nnc1C
InChIInChI=1S/C10H14N2O2/c1-4-5-14-10(13)9-6-7(2)11-12-8(9)3/h6H,4-5H2,1-3H3
InChIKeyCJACYWHMFYPGHN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.66
Rot. Bonds3

About propyl 3,6-dimethylpyridazine-4-carboxylate

propyl 3,6-dimethylpyridazine-4-carboxylate (PubChem CID 104671102) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is propyl 3,6-dimethylpyridazine-4-carboxylate.

Molecular Properties

Compound Namepropyl 3,6-dimethylpyridazine-4-carboxylate
PubChem CID104671102
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namepropyl 3,6-dimethylpyridazine-4-carboxylate
SMILESCCCOC(=O)c1cc(C)nnc1C
InChIInChI=1S/C10H14N2O2/c1-4-5-14-10(13)9-6-7(2)11-12-8(9)3/h6H,4-5H2,1-3H3
InChIKeyCJACYWHMFYPGHN-UHFFFAOYSA-N
XLogP1.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-bromo-3-methylpyridazine-4-carboxylate
CID 162520168
(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
CID 105128622
1-(3,6-dimethylpyridazin-4-yl)hexan-1-one
CID 105087649
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
1-(3,6-dimethylpyridazin-4-yl)prop-2-en-1-one
CID 105110928
propyl 2-methylbenzoate
CID 23432654
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 113434978
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443
propyl 2-carbamoyl-5-ethylbenzoate
CID 57025682
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
propyl 3-methyl-1-pyrimidin-5-ylpyrazole-4-carboxylate
CID 155112594
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773

Frequently Asked Questions

What is the IUPAC name of propyl 3,6-dimethylpyridazine-4-carboxylate?
The IUPAC name of propyl 3,6-dimethylpyridazine-4-carboxylate (CID 104671102) is propyl 3,6-dimethylpyridazine-4-carboxylate.
What is the SMILES notation for propyl 3,6-dimethylpyridazine-4-carboxylate?
The canonical SMILES for propyl 3,6-dimethylpyridazine-4-carboxylate is CCCOC(=O)c1cc(C)nnc1C.
What is the InChIKey of propyl 3,6-dimethylpyridazine-4-carboxylate?
The InChIKey is CJACYWHMFYPGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-5-14-10(13)9-6-7(2)11-12-8(9)3/h6H,4-5H2,1-3H3.
What are the key properties of propyl 3,6-dimethylpyridazine-4-carboxylate?
propyl 3,6-dimethylpyridazine-4-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3,6-dimethylpyridazine-4-carboxylate is sourced from PubChem (CID 104671102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).