(4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine

C15H28N2 — CID 134477672

IUPAC(4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine
SMILESCC/C(C)=C/C[C@]1(C)C(CC)[C@H](C)C=NN1C
InChIInChI=1S/C15H28N2/c1-7-12(3)9-10-15(5)14(8-2)13(4)11-16-17(15)6/h9,11,13-14H,7-8,10H2,1-6H3/b12-9+/t13-,14?,15-/m1/s1
InChIKeyDCVBNWROQAPPQK-MIEBDTIHSA-N
MW236.40 g/mol
LogP4.09
Rot. Bonds4

About (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine

(4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine (PubChem CID 134477672) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine.

Molecular Properties

Compound Name(4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine
PubChem CID134477672
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine
SMILESCC/C(C)=C/C[C@]1(C)C(CC)[C@H](C)C=NN1C
InChIInChI=1S/C15H28N2/c1-7-12(3)9-10-15(5)14(8-2)13(4)11-16-17(15)6/h9,11,13-14H,7-8,10H2,1-6H3/b12-9+/t13-,14?,15-/m1/s1
InChIKeyDCVBNWROQAPPQK-MIEBDTIHSA-N
XLogP4.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine 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 (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine?
The IUPAC name of (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine (CID 134477672) is (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine.
What is the SMILES notation for (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine?
The canonical SMILES for (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine is CC/C(C)=C/C[C@]1(C)C(CC)[C@H](C)C=NN1C.
What is the InChIKey of (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine?
The InChIKey is DCVBNWROQAPPQK-MIEBDTIHSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-12(3)9-10-15(5)14(8-2)13(4)11-16-17(15)6/h9,11,13-14H,7-8,10H2,1-6H3/b12-9+/t13-,14?,15-/m1/s1.
What are the key properties of (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine?
(4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine has a molecular weight of 236.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine is sourced from PubChem (CID 134477672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).