7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine

C25H35N5 — CID 171543659

IUPAC7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine
SMILESCCC(C)c1nc(C(C)C)c2cccnn12.CCc1nc(C(C)C)n2ccccc12
InChIInChI=1S/C13H19N3.C12H16N2/c1-5-10(4)13-15-12(9(2)3)11-7-6-8-14-16(11)13;1-4-10-11-7-5-6-8-14(11)12(13-10)9(2)3/h6-10H,5H2,1-4H3;5-9H,4H2,1-3H3
InChIKeyIUDYWFXHAPDXCQ-UHFFFAOYSA-N
MW405.59 g/mol
LogP6.39
Rot. Bonds5

About 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine

7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine (PubChem CID 171543659) has the molecular formula C25H35N5 and a molecular weight of 405.59 g/mol. Its IUPAC name is 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine
PubChem CID171543659
Molecular FormulaC25H35N5
Molecular Weight405.59 g/mol
Exact Mass405.29
IUPAC Name7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine
SMILESCCC(C)c1nc(C(C)C)c2cccnn12.CCc1nc(C(C)C)n2ccccc12
InChIInChI=1S/C13H19N3.C12H16N2/c1-5-10(4)13-15-12(9(2)3)11-7-6-8-14-16(11)13;1-4-10-11-7-5-6-8-14(11)12(13-10)9(2)3/h6-10H,5H2,1-4H3;5-9H,4H2,1-3H3
InChIKeyIUDYWFXHAPDXCQ-UHFFFAOYSA-N
XLogP6.39
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine (CID 171543659) is 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine is CCC(C)c1nc(C(C)C)c2cccnn12.CCc1nc(C(C)C)n2ccccc12.
What is the InChIKey of 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine?
The InChIKey is IUDYWFXHAPDXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.C12H16N2/c1-5-10(4)13-15-12(9(2)3)11-7-6-8-14-16(11)13;1-4-10-11-7-5-6-8-14(11)12(13-10)9(2)3/h6-10H,5H2,1-4H3;5-9H,4H2,1-3H3.
What are the key properties of 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine?
7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine has a molecular weight of 405.59 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-5-propan-2-ylimidazo[1,5-b]pyridazine;1-ethyl-3-propan-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 171543659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).