4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C20H24N4 — CID 160987444

IUPAC4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnn2cccc12
InChIInChI=1S/2C10H12N2/c1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-5-6-11-12-7-3-4-10(9)12/h3-7H,1-2H3,(H,11,12);3-8H,1-2H3
InChIKeyTUDWTBNTKZRMRQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.14
Rot. Bonds2

About 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 160987444) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID160987444
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnn2cccc12
InChIInChI=1S/2C10H12N2/c1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-5-6-11-12-7-3-4-10(9)12/h3-7H,1-2H3,(H,11,12);3-8H,1-2H3
InChIKeyTUDWTBNTKZRMRQ-UHFFFAOYSA-N
XLogP5.14
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 160987444) is 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnn2cccc12.
What is the InChIKey of 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is TUDWTBNTKZRMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2/c1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-5-6-11-12-7-3-4-10(9)12/h3-7H,1-2H3,(H,11,12);3-8H,1-2H3.
What are the key properties of 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 320.44 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160987444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).