N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine

C11H16N6O — CID 114268825

IUPACN-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccc(OC)nn2)nn1
InChIInChI=1S/C11H16N6O/c1-3-12-6-10-8-17(16-14-10)7-9-4-5-11(18-2)15-13-9/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyCMZZZQFUSWROJG-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.23
Rot. Bonds6

About N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine

N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 114268825) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID114268825
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccc(OC)nn2)nn1
InChIInChI=1S/C11H16N6O/c1-3-12-6-10-8-17(16-14-10)7-9-4-5-11(18-2)15-13-9/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyCMZZZQFUSWROJG-UHFFFAOYSA-N
XLogP0.23
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

US11026923, Example 62
CID 155773331
1-(6-Methoxy-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47220635
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 51104898
N-((1-ethyl-1H-pyrazol-5-yl)methyl)-4-methoxyaniline
CID 19619268
N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 51076826
6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine
CID 97258593
6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine
CID 99789848
(2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine
CID 124849088
2-Methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine
CID 136559302
(1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine
CID 164630668
(1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine
CID 164641256
6-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridin-3-amine
CID 69805614

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 114268825) is N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ccc(OC)nn2)nn1.
What is the InChIKey of N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is CMZZZQFUSWROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-12-6-10-8-17(16-14-10)7-9-4-5-11(18-2)15-13-9/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 248.29 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114268825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).