3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)

C30H46N6 — CID 160706646

IUPAC3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)
SMILESCC1=CN=C(C)C1.CC1=CN=C(C)C1.CC1=NN=C(C)CC1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1
InChIInChI=1S/C6H10N2.4C6H9N/c1-5-3-4-6(2)8-7-5;2*1-5-3-6(2)7-4-5;2*1-5-3-4-6(2)7-5/h3-4H2,1-2H3;2*4H,3H2,1-2H3;2*3-4,7H,1-2H3
InChIKeyRRHVFZNHJUPZOW-UHFFFAOYSA-N
MW490.74 g/mol
LogP8.39
Rot. Bonds

About 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)

3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole) (PubChem CID 160706646) has the molecular formula C30H46N6 and a molecular weight of 490.74 g/mol. Its IUPAC name is 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole).

Molecular Properties

Compound Name3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)
PubChem CID160706646
Molecular FormulaC30H46N6
Molecular Weight490.74 g/mol
Exact Mass490.38
IUPAC Name3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)
SMILESCC1=CN=C(C)C1.CC1=CN=C(C)C1.CC1=NN=C(C)CC1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1
InChIInChI=1S/C6H10N2.4C6H9N/c1-5-3-4-6(2)8-7-5;2*1-5-3-6(2)7-4-5;2*1-5-3-4-6(2)7-5/h3-4H2,1-2H3;2*4H,3H2,1-2H3;2*3-4,7H,1-2H3
InChIKeyRRHVFZNHJUPZOW-UHFFFAOYSA-N
XLogP8.39
TPSA81.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.74
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)?
The IUPAC name of 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole) (CID 160706646) is 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole).
What is the SMILES notation for 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)?
The canonical SMILES for 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole) is CC1=CN=C(C)C1.CC1=CN=C(C)C1.CC1=NN=C(C)CC1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.
What is the InChIKey of 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)?
The InChIKey is RRHVFZNHJUPZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.4C6H9N/c1-5-3-4-6(2)8-7-5;2*1-5-3-6(2)7-4-5;2*1-5-3-4-6(2)7-5/h3-4H2,1-2H3;2*4H,3H2,1-2H3;2*3-4,7H,1-2H3.
What are the key properties of 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole)?
3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole) has a molecular weight of 490.74 g/mol, XLogP of 8.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4,5-dihydropyridazine;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-1H-pyrrole) is sourced from PubChem (CID 160706646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).