8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine

C12H18N4O — CID 66211559

IUPAC8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCc1ccc(NC2C(N)C3CCCOC32)nn1
InChIInChI=1S/C12H18N4O/c1-7-4-5-9(16-15-7)14-11-10(13)8-3-2-6-17-12(8)11/h4-5,8,10-12H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyPJYWGHOLZMWTJZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.70
Rot. Bonds2

About 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 66211559) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID66211559
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCc1ccc(NC2C(N)C3CCCOC32)nn1
InChIInChI=1S/C12H18N4O/c1-7-4-5-9(16-15-7)14-11-10(13)8-3-2-6-17-12(8)11/h4-5,8,10-12H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyPJYWGHOLZMWTJZ-UHFFFAOYSA-N
XLogP0.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211179
8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211752
7-N-(2,6-dimethylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66210541
3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]pyridazine-4-carbonitrile
CID 80515067
8-N-[6-(trifluoromethyl)-2-pyridinyl]-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211939
7-N-(2-methylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66212475
8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 106660889
8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211754
8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 115973508
8-N-imidazo[1,2-a]pyridin-5-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 102626151
2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide
CID 66212922
8-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66212532

Frequently Asked Questions

What is the IUPAC name of 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 66211559) is 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is Cc1ccc(NC2C(N)C3CCCOC32)nn1.
What is the InChIKey of 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is PJYWGHOLZMWTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7-4-5-9(16-15-7)14-11-10(13)8-3-2-6-17-12(8)11/h4-5,8,10-12H,2-3,6,13H2,1H3,(H,14,16).
What are the key properties of 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 234.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 66211559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).