3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine

C8H10ClN3 — CID 86724014

IUPAC3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
SMILESCC1(C)CNc2cc(Cl)nnc21
InChIInChI=1S/C8H10ClN3/c1-8(2)4-10-5-3-6(9)11-12-7(5)8/h3,10H,4H2,1-2H3
InChIKeyLOFFRGBHXIMOJH-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.83
Rot. Bonds

About 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine

3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine (PubChem CID 86724014) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine.

Molecular Properties

Compound Name3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
PubChem CID86724014
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
SMILESCC1(C)CNc2cc(Cl)nnc21
InChIInChI=1S/C8H10ClN3/c1-8(2)4-10-5-3-6(9)11-12-7(5)8/h3,10H,4H2,1-2H3
InChIKeyLOFFRGBHXIMOJH-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The IUPAC name of 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine (CID 86724014) is 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine.
What is the SMILES notation for 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The canonical SMILES for 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine is CC1(C)CNc2cc(Cl)nnc21.
What is the InChIKey of 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The InChIKey is LOFFRGBHXIMOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-8(2)4-10-5-3-6(9)11-12-7(5)8/h3,10H,4H2,1-2H3.
What are the key properties of 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine has a molecular weight of 183.64 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine is sourced from PubChem (CID 86724014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).