1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine

C14H23N3 — CID 71066706

IUPAC1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c1CNC2
InChIInChI=1S/C14H23N3/c1-13(2,3)11-9-7-15-8-10(9)12(17-16-11)14(4,5)6/h15H,7-8H2,1-6H3
InChIKeyWIGGODXWZIWDKS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds

About 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine

1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine (PubChem CID 71066706) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
PubChem CID71066706
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c1CNC2
InChIInChI=1S/C14H23N3/c1-13(2,3)11-9-7-15-8-10(9)12(17-16-11)14(4,5)6/h15H,7-8H2,1-6H3
InChIKeyWIGGODXWZIWDKS-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Tritert-butyl-6-piperidin-4-ylpyridazine
CID 21040094
1,4-ditert-butyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
CID 67678958
1,4-Ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
CID 71066739
3,4,5-Triethyl-6-piperidin-4-ylpyridazine
CID 71213339
(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine
CID 134502807
3,4,5-Trimethyl-6-piperidin-4-ylpyridazine
CID 142187310
3,6-Ditert-butyl-4,5-dimethanidylpyridazine;ethane;tungsten(2+)
CID 145473938
3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine
CID 153340986
1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
CID 174263198
1,4,6-Trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine
CID 174263206
N-methyl-3-(4,5,6-trimethylpyridazin-3-yl)propan-1-amine
CID 175564546
3,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine
CID 176356686

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine (CID 71066706) is 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine is CC(C)(C)c1nnc(C(C)(C)C)c2c1CNC2.
What is the InChIKey of 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The InChIKey is WIGGODXWZIWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-13(2,3)11-9-7-15-8-10(9)12(17-16-11)14(4,5)6/h15H,7-8H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine has a molecular weight of 233.36 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 71066706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).