3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine

C8H11N3O — CID 117100420

IUPAC3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
SMILESCOc1cc2c(nn1)CNCC2
InChIInChI=1S/C8H11N3O/c1-12-8-4-6-2-3-9-5-7(6)10-11-8/h4,9H,2-3,5H2,1H3
InChIKeyZLGRJTBMAVZEAI-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.13
Rot. Bonds1

About 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine

3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine (PubChem CID 117100420) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine.

Molecular Properties

Compound Name3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
PubChem CID117100420
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
SMILESCOc1cc2c(nn1)CNCC2
InChIInChI=1S/C8H11N3O/c1-12-8-4-6-2-3-9-5-7(6)10-11-8/h4,9H,2-3,5H2,1H3
InChIKeyZLGRJTBMAVZEAI-UHFFFAOYSA-N
XLogP0.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

((6-Methoxypyridazin-3-yl)methyl)(methyl)amine
CID 62292086
6,7,8,9-Tetrahydro-3-methoxy-5H-pyridazino[3,4-d]azepine
CID 72942395
3-methoxy-5H,6H,7H,8H-pyrido[4,3-c]pyridazine
CID 71758737
1-[6-(Difluoromethoxy)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 150571141
N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine
CID 163382654
1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine
CID 163383031
N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine
CID 163383247
N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 55058427
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine
CID 55058823
N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine
CID 62291367
N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62291368
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62291543

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine?
The IUPAC name of 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine (CID 117100420) is 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine.
What is the SMILES notation for 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine?
The canonical SMILES for 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine is COc1cc2c(nn1)CNCC2.
What is the InChIKey of 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine?
The InChIKey is ZLGRJTBMAVZEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-12-8-4-6-2-3-9-5-7(6)10-11-8/h4,9H,2-3,5H2,1H3.
What are the key properties of 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine?
3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine has a molecular weight of 165.20 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine is sourced from PubChem (CID 117100420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).