pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium

C12H14N3+ — CID 6946563

IUPACpyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
SMILESc1cncc(C[NH2+]Cc2ccncc2)c1
InChIInChI=1S/C12H13N3/c1-2-12(9-14-5-1)10-15-8-11-3-6-13-7-4-11/h1-7,9,15H,8,10H2/p+1
InChIKeyHTIBRCUBBWLXNE-UHFFFAOYSA-O
MW200.27 g/mol
LogP0.74
Rot. Bonds4

About pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium

pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium (PubChem CID 6946563) has the molecular formula C12H14N3+ and a molecular weight of 200.27 g/mol. Its IUPAC name is pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium.

Molecular Properties

Compound Namepyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
PubChem CID6946563
Molecular FormulaC12H14N3+
Molecular Weight200.27 g/mol
Exact Mass200.12
IUPAC Namepyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
SMILESc1cncc(C[NH2+]Cc2ccncc2)c1
InChIInChI=1S/C12H13N3/c1-2-12(9-14-5-1)10-15-8-11-3-6-13-7-4-11/h1-7,9,15H,8,10H2/p+1
InChIKeyHTIBRCUBBWLXNE-UHFFFAOYSA-O
XLogP0.74
TPSA42.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(pyridin-3-ylmethyl)azanium
CID 6946562
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090046
2-methylpropyl(pyridin-3-ylmethyl)azanium
CID 7808850
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
3-ethylpyridine
CID 10823
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
dibenzylazanium iodide
CID 15533239
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
4-[(pyridin-4-ylmethylazaniumyl)methyl]benzoate
CID 40730481

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium?
The IUPAC name of pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium (CID 6946563) is pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium.
What is the SMILES notation for pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium?
The canonical SMILES for pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium is c1cncc(C[NH2+]Cc2ccncc2)c1.
What is the InChIKey of pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium?
The InChIKey is HTIBRCUBBWLXNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13N3/c1-2-12(9-14-5-1)10-15-8-11-3-6-13-7-4-11/h1-7,9,15H,8,10H2/p+1.
What are the key properties of pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium?
pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium has a molecular weight of 200.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium is sourced from PubChem (CID 6946563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).