[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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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).