N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine

C16H18N4Se — CID 43784897

IUPACN-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCc1cc(C)c(C(C)Nc2cccc3n[se]nc23)c(C)n1
InChIInChI=1S/C16H18N4Se/c1-9-8-10(2)17-11(3)15(9)12(4)18-13-6-5-7-14-16(13)20-21-19-14/h5-8,12,18H,1-4H3
InChIKeySPIWBVOEHMEDAT-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.18
Rot. Bonds3

About N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine

N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43784897) has the molecular formula C16H18N4Se and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
PubChem CID43784897
Molecular FormulaC16H18N4Se
Molecular Weight345.31 g/mol
Exact Mass346.07
IUPAC NameN-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCc1cc(C)c(C(C)Nc2cccc3n[se]nc23)c(C)n1
InChIInChI=1S/C16H18N4Se/c1-9-8-10(2)17-11(3)15(9)12(4)18-13-6-5-7-14-16(13)20-21-19-14/h5-8,12,18H,1-4H3
InChIKeySPIWBVOEHMEDAT-UHFFFAOYSA-N
XLogP3.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine (CID 43784897) is N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine is Cc1cc(C)c(C(C)Nc2cccc3n[se]nc23)c(C)n1.
What is the InChIKey of N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is SPIWBVOEHMEDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4Se/c1-9-8-10(2)17-11(3)15(9)12(4)18-13-6-5-7-14-16(13)20-21-19-14/h5-8,12,18H,1-4H3.
What are the key properties of N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 345.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43784897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).