N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine

C11H20N4S — CID 64715489

IUPACN-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
SMILESCCNC1CCCC(Sc2nncn2C)C1
InChIInChI=1S/C11H20N4S/c1-3-12-9-5-4-6-10(7-9)16-11-14-13-8-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyWJPPLYDYDMTGJP-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.83
Rot. Bonds4

About N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine

N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine (PubChem CID 64715489) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
PubChem CID64715489
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
SMILESCCNC1CCCC(Sc2nncn2C)C1
InChIInChI=1S/C11H20N4S/c1-3-12-9-5-4-6-10(7-9)16-11-14-13-8-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyWJPPLYDYDMTGJP-UHFFFAOYSA-N
XLogP1.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823
N-ethyl-2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
CID 79863183
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
CID 64649724
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64724101
2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64717791
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
1-(cyclopropylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79637088
N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine
CID 64716116
3-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64723881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine (CID 64715489) is N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine is CCNC1CCCC(Sc2nncn2C)C1.
What is the InChIKey of N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine?
The InChIKey is WJPPLYDYDMTGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-12-9-5-4-6-10(7-9)16-11-14-13-8-15(11)2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine?
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 64715489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).