2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine

C10H16N2 — CID 138701621

IUPAC2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine
SMILESCC(C)C1=NN2CCCC2C=C1
InChIInChI=1S/C10H16N2/c1-8(2)10-6-5-9-4-3-7-12(9)11-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyAPROUYRIPATBFD-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.03
Rot. Bonds1

About 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine

2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine (PubChem CID 138701621) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine
PubChem CID138701621
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine
SMILESCC(C)C1=NN2CCCC2C=C1
InChIInChI=1S/C10H16N2/c1-8(2)10-6-5-9-4-3-7-12(9)11-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyAPROUYRIPATBFD-UHFFFAOYSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine?
The IUPAC name of 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine (CID 138701621) is 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine?
The canonical SMILES for 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine is CC(C)C1=NN2CCCC2C=C1.
What is the InChIKey of 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine?
The InChIKey is APROUYRIPATBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)10-6-5-9-4-3-7-12(9)11-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine?
2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine has a molecular weight of 164.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 138701621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).