3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine

C18H26N2S — CID 170184462

IUPAC3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine
SMILESCC(C)c1ccc(C(C)CCc2ccc(C(C)C)s2)nn1
InChIInChI=1S/C18H26N2S/c1-12(2)16-9-10-17(20-19-16)14(5)6-7-15-8-11-18(21-15)13(3)4/h8-14H,6-7H2,1-5H3
InChIKeyNDILRASGKQNCRX-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.52
Rot. Bonds6

About 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine

3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine (PubChem CID 170184462) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine.

Molecular Properties

Compound Name3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine
PubChem CID170184462
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine
SMILESCC(C)c1ccc(C(C)CCc2ccc(C(C)C)s2)nn1
InChIInChI=1S/C18H26N2S/c1-12(2)16-9-10-17(20-19-16)14(5)6-7-15-8-11-18(21-15)13(3)4/h8-14H,6-7H2,1-5H3
InChIKeyNDILRASGKQNCRX-UHFFFAOYSA-N
XLogP5.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine?
The IUPAC name of 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine (CID 170184462) is 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine.
What is the SMILES notation for 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine?
The canonical SMILES for 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine is CC(C)c1ccc(C(C)CCc2ccc(C(C)C)s2)nn1.
What is the InChIKey of 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine?
The InChIKey is NDILRASGKQNCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-12(2)16-9-10-17(20-19-16)14(5)6-7-15-8-11-18(21-15)13(3)4/h8-14H,6-7H2,1-5H3.
What are the key properties of 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine?
3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine has a molecular weight of 302.49 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[4-(5-propan-2-ylthiophen-2-yl)butan-2-yl]pyridazine is sourced from PubChem (CID 170184462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).