5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine

C8H10N2 — CID 123828726

IUPAC5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine
SMILESCC1C=CN2N=CC=CC12
InChIInChI=1S/C8H10N2/c1-7-4-6-10-8(7)3-2-5-9-10/h2-8H,1H3
InChIKeyCBQRSVRSWVUOSZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.38
Rot. Bonds

About 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine

5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine (PubChem CID 123828726) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine
PubChem CID123828726
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine
SMILESCC1C=CN2N=CC=CC12
InChIInChI=1S/C8H10N2/c1-7-4-6-10-8(7)3-2-5-9-10/h2-8H,1H3
InChIKeyCBQRSVRSWVUOSZ-UHFFFAOYSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine?
The IUPAC name of 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine (CID 123828726) is 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine?
The canonical SMILES for 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine is CC1C=CN2N=CC=CC12.
What is the InChIKey of 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine?
The InChIKey is CBQRSVRSWVUOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-7-4-6-10-8(7)3-2-5-9-10/h2-8H,1H3.
What are the key properties of 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine?
5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine has a molecular weight of 134.18 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 123828726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).