methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate

C15H25N3O2 — CID 176694239

IUPACmethyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate
SMILESCCCCCN(CC)c1nnc(C)c(C)c1C(=O)OC
InChIInChI=1S/C15H25N3O2/c1-6-8-9-10-18(7-2)14-13(15(19)20-5)11(3)12(4)16-17-14/h6-10H2,1-5H3
InChIKeyXNIJTHRPHXDNLN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.90
Rot. Bonds7

About methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate

methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate (PubChem CID 176694239) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate
PubChem CID176694239
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate
SMILESCCCCCN(CC)c1nnc(C)c(C)c1C(=O)OC
InChIInChI=1S/C15H25N3O2/c1-6-8-9-10-18(7-2)14-13(15(19)20-5)11(3)12(4)16-17-14/h6-10H2,1-5H3
InChIKeyXNIJTHRPHXDNLN-UHFFFAOYSA-N
XLogP2.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 55108036
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61098045
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 61089736
3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)-pentylamino]propanoic acid
CID 82309915
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371
methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
CID 134966576
3-[ethyl(pentyl)amino]-5-methyl-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 176694674
3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701675
3-[2-methoxyethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701856
3-[2-hydroxyethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61426032
methyl 3-[(4-carbamothioyl-5,6-dimethylpyridazin-3-yl)-methylamino]propanoate
CID 55001699

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate?
The IUPAC name of methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate (CID 176694239) is methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate?
The canonical SMILES for methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate is CCCCCN(CC)c1nnc(C)c(C)c1C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate?
The InChIKey is XNIJTHRPHXDNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-8-9-10-18(7-2)14-13(15(19)20-5)11(3)12(4)16-17-14/h6-10H2,1-5H3.
What are the key properties of methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate?
methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate is sourced from PubChem (CID 176694239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).