2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine

C16H24N2 — CID 170937995

IUPAC2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine
SMILESCC(C)c1ccc2c(C(C)C)cc(C(C)C)n2n1
InChIInChI=1S/C16H24N2/c1-10(2)13-9-16(12(5)6)18-15(13)8-7-14(17-18)11(3)4/h7-12H,1-6H3
InChIKeyVENLXDGXAYVNPK-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.70
Rot. Bonds3

About 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine

2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine (PubChem CID 170937995) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine
PubChem CID170937995
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine
SMILESCC(C)c1ccc2c(C(C)C)cc(C(C)C)n2n1
InChIInChI=1S/C16H24N2/c1-10(2)13-9-16(12(5)6)18-15(13)8-7-14(17-18)11(3)4/h7-12H,1-6H3
InChIKeyVENLXDGXAYVNPK-UHFFFAOYSA-N
XLogP4.70
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine
CID 170938057
2,6-di(propan-2-yl)pyrazolo[1,5-b]pyridazine
CID 59534162
8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67988424
3-bromo-6-propan-2-ylimidazo[1,2-b]pyridazine
CID 82388154
5-fluoro-1-methyl-3-propan-2-ylindazole
CID 118489326
1,2-dimethyl-5-propan-2-ylimidazo[4,5-b]pyridine
CID 59097694
bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)
CID 139154857
(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 96738058
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole
CID 138571044
3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine
CID 123669260
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069

Frequently Asked Questions

What is the IUPAC name of 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine (CID 170937995) is 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine is CC(C)c1ccc2c(C(C)C)cc(C(C)C)n2n1.
What is the InChIKey of 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine?
The InChIKey is VENLXDGXAYVNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10(2)13-9-16(12(5)6)18-15(13)8-7-14(17-18)11(3)4/h7-12H,1-6H3.
What are the key properties of 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine?
2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine has a molecular weight of 244.38 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-tri(propan-2-yl)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 170937995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).