1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine

C7H9N3 — CID 584613

IUPAC1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine
SMILESCN1CCc2cnncc21
InChIInChI=1S/C7H9N3/c1-10-3-2-6-4-8-9-5-7(6)10/h4-5H,2-3H2,1H3
InChIKeyHAGOTKMYSGQAHO-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.47
Rot. Bonds

About 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine

1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine (PubChem CID 584613) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine
PubChem CID584613
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine
SMILESCN1CCc2cnncc21
InChIInChI=1S/C7H9N3/c1-10-3-2-6-4-8-9-5-7(6)10/h4-5H,2-3H2,1H3
InChIKeyHAGOTKMYSGQAHO-UHFFFAOYSA-N
XLogP0.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2,3-dihydropyrrolo[3,2-c]pyridine-6-carboxylic acid
CID 84656375
ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine
CID 157029872
1-methyl-3,4-dihydro-2H-1,6-naphthyridine
CID 45079501
1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide
CID 155230141
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385729
1,6-dimethyl-2,3-dihydroindole
CID 59833304
4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole
CID 130698546
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 45080430
1-methyl-6-(1-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-6-yl)piperidin-3-amine
CID 82384213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine?
The IUPAC name of 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine (CID 584613) is 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine?
The canonical SMILES for 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine is CN1CCc2cnncc21.
What is the InChIKey of 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine?
The InChIKey is HAGOTKMYSGQAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-10-3-2-6-4-8-9-5-7(6)10/h4-5H,2-3H2,1H3.
What are the key properties of 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine?
1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine has a molecular weight of 135.17 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydropyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 584613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).