3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine

C9H16N4S — CID 82909389

IUPAC3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
SMILESCCCn1cnnc1C1CSCCN1
InChIInChI=1S/C9H16N4S/c1-2-4-13-7-11-12-9(13)8-6-14-5-3-10-8/h7-8,10H,2-6H2,1H3
InChIKeyHCTMWHKHLUKIJO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.07
Rot. Bonds3

About 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine

3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine (PubChem CID 82909389) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine.

Molecular Properties

Compound Name3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
PubChem CID82909389
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
SMILESCCCn1cnnc1C1CSCCN1
InChIInChI=1S/C9H16N4S/c1-2-4-13-7-11-12-9(13)8-6-14-5-3-10-8/h7-8,10H,2-6H2,1H3
InChIKeyHCTMWHKHLUKIJO-UHFFFAOYSA-N
XLogP1.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]tetrahydrothiophen-3-amine
CID 50962208
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(ethylthio)propan-2-amine
CID 56709396
1,4-dithiepan-6-yl[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 56722329
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(3-methylsulfanylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376472
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(3-methylsulfanylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376473
4-ethylsulfanyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-amine
CID 116504145
1-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615516
(1-ethylpropyl)[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]amine
CID 43703221
N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 50950981
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 50971482
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}tetrahydro-2H-thiopyran-4-amine
CID 50978615

Frequently Asked Questions

What is the IUPAC name of 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine?
The IUPAC name of 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine (CID 82909389) is 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine.
What is the SMILES notation for 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine?
The canonical SMILES for 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine is CCCn1cnnc1C1CSCCN1.
What is the InChIKey of 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine?
The InChIKey is HCTMWHKHLUKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-4-13-7-11-12-9(13)8-6-14-5-3-10-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine?
3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine has a molecular weight of 212.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine is sourced from PubChem (CID 82909389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).