3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine

C15H26N4S — CID 163765849

IUPAC3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
SMILESCCSc1nnc(C2(CC)CC3CCCC(C3)C2)n1N
InChIInChI=1S/C15H26N4S/c1-3-15(9-11-6-5-7-12(8-11)10-15)13-17-18-14(19(13)16)20-4-2/h11-12H,3-10,16H2,1-2H3
InChIKeyMCFDSQVBQOZOGL-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.35
Rot. Bonds4

About 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine

3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 163765849) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
PubChem CID163765849
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
SMILESCCSc1nnc(C2(CC)CC3CCCC(C3)C2)n1N
InChIInChI=1S/C15H26N4S/c1-3-15(9-11-6-5-7-12(8-11)10-15)13-17-18-14(19(13)16)20-4-2/h11-12H,3-10,16H2,1-2H3
InChIKeyMCFDSQVBQOZOGL-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(1-adamantyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
CID 59656046
1-[2-[3-(1-adamantyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]ethyl]piperidine
CID 59656194
3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine
CID 951766
3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
CID 130616955
3-(1-adamantyl)-4-ethyl-5-ethylsulfanyl-1,2,4-triazole;3-(1-adamantyl)-4-ethyl-1H-1,2,4-triazole-5-thione;deuterium monohydride
CID 161228801
[5-(1-adamantylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315646
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 75480383
2-[[4-amino-5-(1-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106827753
4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-one
CID 67617205
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 126994903
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 937719
2-[[4-amino-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 124718788

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine (CID 163765849) is 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine is CCSc1nnc(C2(CC)CC3CCCC(C3)C2)n1N.
What is the InChIKey of 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is MCFDSQVBQOZOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-3-15(9-11-6-5-7-12(8-11)10-15)13-17-18-14(19(13)16)20-4-2/h11-12H,3-10,16H2,1-2H3.
What are the key properties of 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine?
3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 294.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 163765849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).