3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one

C15H28N4OS — CID 64737548

IUPAC3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCCNC1CC(C)CC(C)C1Sc1n[nH]c(=O)n1CC
InChIInChI=1S/C15H28N4OS/c1-5-7-16-12-9-10(3)8-11(4)13(12)21-15-18-17-14(20)19(15)6-2/h10-13,16H,5-9H2,1-4H3,(H,17,20)
InChIKeyUHTIMSOTUGMCDU-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.49
Rot. Bonds6

About 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one

3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 64737548) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID64737548
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCCNC1CC(C)CC(C)C1Sc1n[nH]c(=O)n1CC
InChIInChI=1S/C15H28N4OS/c1-5-7-16-12-9-10(3)8-11(4)13(12)21-15-18-17-14(20)19(15)6-2/h10-13,16H,5-9H2,1-4H3,(H,17,20)
InChIKeyUHTIMSOTUGMCDU-UHFFFAOYSA-N
XLogP2.49
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[2-(ethylamino)-4,6-dimethylcyclohexyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 64737164
4-ethyl-3-(3-methylcyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 126798499
3-(2-amino-5-methylcyclohexyl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 64632361
4-ethyl-3-[2-(methylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64633343
3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64735982
4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64722473
4-ethyl-3-piperidin-4-ylsulfanyl-1H-1,2,4-triazol-5-one
CID 62884499
4-ethyl-3-[2-(propylamino)ethylsulfanyl]-1H-1,2,4-triazol-5-one
CID 62884311
4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 64905894
3-(2-amino-4,6-dimethylcyclohexyl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 64734804
3-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79646468
3-(2-amino-4,6-dimethylcyclohexyl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 64737165

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one (CID 64737548) is 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one is CCCNC1CC(C)CC(C)C1Sc1n[nH]c(=O)n1CC.
What is the InChIKey of 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is UHTIMSOTUGMCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-5-7-16-12-9-10(3)8-11(4)13(12)21-15-18-17-14(20)19(15)6-2/h10-13,16H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one?
3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 312.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 64737548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).