[4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate

C17H19N3O3 — CID 70565223

IUPAC[4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(C)NN=C(CC)C1c1cccc(C#N)c1
InChIInChI=1S/C17H19N3O3/c1-4-14-15(13-8-6-7-12(9-13)10-18)16(11(3)19-20-14)23-17(21)22-5-2/h6-9,15,19H,4-5H2,1-3H3
InChIKeyUUWLLLYQRYANAS-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.42
Rot. Bonds4

About [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate

[4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate (PubChem CID 70565223) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate
PubChem CID70565223
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(C)NN=C(CC)C1c1cccc(C#N)c1
InChIInChI=1S/C17H19N3O3/c1-4-14-15(13-8-6-7-12(9-13)10-18)16(11(3)19-20-14)23-17(21)22-5-2/h6-9,15,19H,4-5H2,1-3H3
InChIKeyUUWLLLYQRYANAS-UHFFFAOYSA-N
XLogP3.42
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-cyanoethoxycarbonyloxy)-4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
CID 70555762
5-O-benzyl 3-O-ethyl 4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 169451231
ethyl 6-(3-cyanophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91540393
[3-(2-butoxyethoxycarbonyloxy)-4-(3-ethylphenyl)-6-methyl-1,4-dihydropyridazin-5-yl] 2-butoxyethyl carbonate
CID 70587336
4-(3-cyanophenyl)-5-(1-methoxyethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 70040635
[4-(2-cyanophenyl)-5-decoxycarbonyloxy-2,6-dimethyl-1,4-dihydropyridin-3-yl] ethyl carbonate
CID 70472459
cyclopentyl 3-ethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylate
CID 70548656
ethyl 3-(3-cyanophenyl)prop-2-ynoate
CID 18549368
[4-(3-cyano-5-fluorophenyl)-5-(3-cyanophenyl)furan-2-yl] ethyl carbonate
CID 67432728
ethyl 2-(cyanoamino)-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 66495586
diethyl 4-(3-ethynylphenyl)-2-formyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 19813398
formaldehyde;2-methoxyethyl 4-(3-cyanophenyl)-5-cycloheptyloxy-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 158516244

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate?
The IUPAC name of [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate (CID 70565223) is [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate.
What is the SMILES notation for [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate?
The canonical SMILES for [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate is CCOC(=O)OC1=C(C)NN=C(CC)C1c1cccc(C#N)c1.
What is the InChIKey of [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate?
The InChIKey is UUWLLLYQRYANAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-14-15(13-8-6-7-12(9-13)10-18)16(11(3)19-20-14)23-17(21)22-5-2/h6-9,15,19H,4-5H2,1-3H3.
What are the key properties of [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate?
[4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate has a molecular weight of 313.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyanophenyl)-3-ethyl-6-methyl-1,4-dihydropyridazin-5-yl] ethyl carbonate is sourced from PubChem (CID 70565223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).