7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine

C7H15N3 — CID 145301468

IUPAC7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine
SMILESCN1CCC2CCNNC21
InChIInChI=1S/C7H15N3/c1-10-5-3-6-2-4-8-9-7(6)10/h6-9H,2-5H2,1H3
InChIKeyWVRFLOLFIRFLDU-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.24
Rot. Bonds

About 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine

7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine (PubChem CID 145301468) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine
PubChem CID145301468
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine
SMILESCN1CCC2CCNNC21
InChIInChI=1S/C7H15N3/c1-10-5-3-6-2-4-8-9-7(6)10/h6-9H,2-5H2,1H3
InChIKeyWVRFLOLFIRFLDU-UHFFFAOYSA-N
XLogP-0.24
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride
CID 154734095
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 82418150
1,8,8-trimethyl-2,3,3a,4,5,6,7,8a-octahydropyrrolo[2,3-d]azepine
CID 144812865
(1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane
CID 96627762
(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
CID 96627763
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine
CID 142426553
(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 148741142
1-methyl-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[3,4-e][1,4]oxazepine
CID 130886927
2-iodo-1-methylazetidine
CID 90368179
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
2-chloro-1-methylazetidine
CID 12873336

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine?
The IUPAC name of 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine (CID 145301468) is 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine?
The canonical SMILES for 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine is CN1CCC2CCNNC21.
What is the InChIKey of 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine?
The InChIKey is WVRFLOLFIRFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-10-5-3-6-2-4-8-9-7(6)10/h6-9H,2-5H2,1H3.
What are the key properties of 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine?
7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine has a molecular weight of 141.22 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4,4a,5,6,7a-octahydropyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 145301468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).