N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine

C14H18N4 — CID 113447077

IUPACN-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
SMILESCCNc1nnc(Cc2cccnc2)c(C)c1C
InChIInChI=1S/C14H18N4/c1-4-16-14-11(3)10(2)13(17-18-14)8-12-6-5-7-15-9-12/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyCUGOBYMLABOWPO-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.51
Rot. Bonds4

About N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine

N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine (PubChem CID 113447077) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
PubChem CID113447077
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
SMILESCCNc1nnc(Cc2cccnc2)c(C)c1C
InChIInChI=1S/C14H18N4/c1-4-16-14-11(3)10(2)13(17-18-14)8-12-6-5-7-15-9-12/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyCUGOBYMLABOWPO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447071
N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66299480
2-ethyl-N,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737212
4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
CID 134451931
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 62470634
[6-ethyl-5-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 63559686
3-ethylpyridine
CID 10823
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480
N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 53298155
N-ethyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737131
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine (CID 113447077) is N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine is CCNc1nnc(Cc2cccnc2)c(C)c1C.
What is the InChIKey of N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine?
The InChIKey is CUGOBYMLABOWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-16-14-11(3)10(2)13(17-18-14)8-12-6-5-7-15-9-12/h5-7,9H,4,8H2,1-3H3,(H,16,18).
What are the key properties of N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine?
N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 113447077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).