4-ethyl-4,5-dihydro-1,3-selenazol-2-amine

C5H10N2Se — CID 72770334

IUPAC4-ethyl-4,5-dihydro-1,3-selenazol-2-amine
SMILESCCC1C[Se]C(N)=N1
InChIInChI=1S/C5H10N2Se/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyZTHKNVOYFVMAGR-UHFFFAOYSA-N
MW177.11 g/mol
LogP0.22
Rot. Bonds1

About 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine

4-ethyl-4,5-dihydro-1,3-selenazol-2-amine (PubChem CID 72770334) has the molecular formula C5H10N2Se and a molecular weight of 177.11 g/mol. Its IUPAC name is 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine.

Molecular Properties

Compound Name4-ethyl-4,5-dihydro-1,3-selenazol-2-amine
PubChem CID72770334
Molecular FormulaC5H10N2Se
Molecular Weight177.11 g/mol
Exact Mass178.00
IUPAC Name4-ethyl-4,5-dihydro-1,3-selenazol-2-amine
SMILESCCC1C[Se]C(N)=N1
InChIInChI=1S/C5H10N2Se/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyZTHKNVOYFVMAGR-UHFFFAOYSA-N
XLogP0.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 166775922
5-ethyl-4,5-dihydro-1H-imidazol-2-amine
CID 70319974
dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)
CID 58936995
4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine
CID 149406196
(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345416
2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline
CID 89326170
N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495956
5-ethyl-4,5-dihydro-1H-pyrazol-3-amine
CID 154018859
2,6-diethyl-4-isocyanato-2,3-dihydropyridine
CID 147669776
4,5-dimethyl-4,5-dihydro-1,3-selenazol-2-amine
CID 72819457
(4S)-4-ethyl-2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101098684
(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole
CID 101211386

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine?
The IUPAC name of 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine (CID 72770334) is 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine.
What is the SMILES notation for 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine?
The canonical SMILES for 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine is CCC1C[Se]C(N)=N1.
What is the InChIKey of 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine?
The InChIKey is ZTHKNVOYFVMAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2Se/c1-2-4-3-8-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7).
What are the key properties of 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine?
4-ethyl-4,5-dihydro-1,3-selenazol-2-amine has a molecular weight of 177.11 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5-dihydro-1,3-selenazol-2-amine is sourced from PubChem (CID 72770334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).