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

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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).