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

C8H11N3 — CID 174263198

IUPAC1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c1CNC2
InChIInChI=1S/C8H11N3/c1-5-7-3-9-4-8(7)6(2)11-10-5/h9H,3-4H2,1-2H3
InChIKeyZMENQIURZOFEMO-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.70
Rot. Bonds

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

1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine (PubChem CID 174263198) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
PubChem CID174263198
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c1CNC2
InChIInChI=1S/C8H11N3/c1-5-7-3-9-4-8(7)6(2)11-10-5/h9H,3-4H2,1-2H3
InChIKeyZMENQIURZOFEMO-UHFFFAOYSA-N
XLogP0.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
CID 71066706
3-[but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 121435417
3-isopropenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 121435497
(4,5,6-Trimethylpyridazin-3-yl)methanamine
CID 132217715
(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine
CID 134502807
3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 140728989
ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 145116783
3-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-c]pyridazine
CID 153340986
1,4-Diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine
CID 163430014
3-(Azetidin-3-yl)-4,5,6-trimethylpyridazine
CID 169124198
3-(Azetidin-3-yl)-4,5,6-trimethylpyridazine;ethane
CID 169124293
4,7-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine
CID 174263196

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine (CID 174263198) is 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c1CNC2.
What is the InChIKey of 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
The InChIKey is ZMENQIURZOFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-7-3-9-4-8(7)6(2)11-10-5/h9H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine?
1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine has a molecular weight of 149.20 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 174263198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).