N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine

C14H18N4 — CID 105098171

IUPACN-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(C)nnc1C
InChIInChI=1S/C14H18N4/c1-4-16-14(12-6-5-7-15-9-12)13-8-10(2)17-18-11(13)3/h5-9,14,16H,4H2,1-3H3
InChIKeyYCBDBXXAGKWHQQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.19
Rot. Bonds4

About N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine

N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 105098171) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID105098171
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(C)nnc1C
InChIInChI=1S/C14H18N4/c1-4-16-14(12-6-5-7-15-9-12)13-8-10(2)17-18-11(13)3/h5-9,14,16H,4H2,1-3H3
InChIKeyYCBDBXXAGKWHQQ-UHFFFAOYSA-N
XLogP2.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
CID 105083698
N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098479
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
[(3-ethyl-6-methylpyridazin-4-yl)-pyridin-3-ylmethyl]hydrazine
CID 105287134
N-[(3,6-dimethylpyridazin-4-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105119145
N-[(3,6-dimethylpyridazin-4-yl)-(furan-2-yl)methyl]ethanamine
CID 105146876
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
CID 105098192
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine (CID 105098171) is N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1cc(C)nnc1C.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is YCBDBXXAGKWHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-16-14(12-6-5-7-15-9-12)13-8-10(2)17-18-11(13)3/h5-9,14,16H,4H2,1-3H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 242.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 105098171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).