1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C51H81N11 — CID 163661005

IUPAC1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC.CC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1nnc(C(C)C)c2ccccc12
InChIInChI=1S/C14H18N2.C10H16N2.C9H11N3.C8H10N4.2C4H10.C2H6/c1-9(2)13-11-7-5-6-8-12(11)14(10(3)4)16-15-13;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;2*1-4(2)3;1-2/h5-10H,1-4H3;5-8H,1-4H3;3-7H,1-2H3;3-6H,1-2H3;2*4H,1-3H3;1-2H3
InChIKeyIUJMOPNITIWEOT-UHFFFAOYSA-N
MW848.29 g/mol
LogP14.05
Rot. Bonds6

About 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 163661005) has the molecular formula C51H81N11 and a molecular weight of 848.29 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID163661005
Molecular FormulaC51H81N11
Molecular Weight848.29 g/mol
Exact Mass847.67
IUPAC Name1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC.CC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1nnc(C(C)C)c2ccccc12
InChIInChI=1S/C14H18N2.C10H16N2.C9H11N3.C8H10N4.2C4H10.C2H6/c1-9(2)13-11-7-5-6-8-12(11)14(10(3)4)16-15-13;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;2*1-4(2)3;1-2/h5-10H,1-4H3;5-8H,1-4H3;3-7H,1-2H3;3-6H,1-2H3;2*4H,1-3H3;1-2H3
InChIKeyIUJMOPNITIWEOT-UHFFFAOYSA-N
XLogP14.05
TPSA124.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500848.29
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 163661005) is 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CC.CC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1nnc(C(C)C)c2ccccc12.
What is the InChIKey of 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IUJMOPNITIWEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C10H16N2.C9H11N3.C8H10N4.2C4H10.C2H6/c1-9(2)13-11-7-5-6-8-12(11)14(10(3)4)16-15-13;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;2*1-4(2)3;1-2/h5-10H,1-4H3;5-8H,1-4H3;3-7H,1-2H3;3-6H,1-2H3;2*4H,1-3H3;1-2H3.
What are the key properties of 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 848.29 g/mol, XLogP of 14.05, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)phthalazine;3,6-di(propan-2-yl)pyridazine;ethane;bis(2-methylpropane);6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 163661005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).