ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate

C18H29N5O3 — CID 139444218

IUPACethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(NC(=O)C2=NN(C)C(N3CCNC3)CC2)CCCC1
InChIInChI=1S/C18H29N5O3/c1-3-26-18(25)13-6-4-5-7-14(13)20-17(24)15-8-9-16(22(2)21-15)23-11-10-19-12-23/h16,19H,3-12H2,1-2H3,(H,20,24)
InChIKeyZTLUKBYGYKKEQE-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.76
Rot. Bonds5

About ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate

ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate (PubChem CID 139444218) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate
PubChem CID139444218
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nameethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(NC(=O)C2=NN(C)C(N3CCNC3)CC2)CCCC1
InChIInChI=1S/C18H29N5O3/c1-3-26-18(25)13-6-4-5-7-14(13)20-17(24)15-8-9-16(22(2)21-15)23-11-10-19-12-23/h16,19H,3-12H2,1-2H3,(H,20,24)
InChIKeyZTLUKBYGYKKEQE-UHFFFAOYSA-N
XLogP0.76
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate (CID 139444218) is ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate is CCOC(=O)C1=C(NC(=O)C2=NN(C)C(N3CCNC3)CC2)CCCC1.
What is the InChIKey of ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate?
The InChIKey is ZTLUKBYGYKKEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-3-26-18(25)13-6-4-5-7-14(13)20-17(24)15-8-9-16(22(2)21-15)23-11-10-19-12-23/h16,19H,3-12H2,1-2H3,(H,20,24).
What are the key properties of ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate?
ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-imidazolidin-1-yl-2-methyl-4,5-dihydro-3H-pyridazine-6-carbonyl)amino]cyclohexene-1-carboxylate is sourced from PubChem (CID 139444218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).