3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine

C9H13N3 — CID 153340986

IUPAC3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine
SMILESCC(C)c1cc2c(nn1)CNC2
InChIInChI=1S/C9H13N3/c1-6(2)8-3-7-4-10-5-9(7)12-11-8/h3,6,10H,4-5H2,1-2H3
InChIKeyGOHPUBDCSRXZHV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.20
Rot. Bonds1

About 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine

3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine (PubChem CID 153340986) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine
PubChem CID153340986
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine
SMILESCC(C)c1cc2c(nn1)CNC2
InChIInChI=1S/C9H13N3/c1-6(2)8-3-7-4-10-5-9(7)12-11-8/h3,6,10H,4-5H2,1-2H3
InChIKeyGOHPUBDCSRXZHV-UHFFFAOYSA-N
XLogP1.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine
CID 72698953
3-(Pyrrolidin-3-yl)pyridazine
CID 82594696
3-(Pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine
CID 135135396
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine
CID 82285115
N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 104670131
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 104670132
N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
CID 104670141
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
CID 104670142
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 105156299
1-(3-ethyl-6-methylpyridazin-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156310
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4,4-trifluorobutan-1-amine
CID 105156365
1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156484

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine?
The IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine (CID 153340986) is 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine?
The canonical SMILES for 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine is CC(C)c1cc2c(nn1)CNC2.
What is the InChIKey of 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine?
The InChIKey is GOHPUBDCSRXZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6(2)8-3-7-4-10-5-9(7)12-11-8/h3,6,10H,4-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine?
3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine has a molecular weight of 163.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine is sourced from PubChem (CID 153340986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).