3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine

C15H19ClN4S — CID 7710477

IUPAC3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2cccc(Cl)c2)nnc1C1CCCCC1
InChIInChI=1S/C15H19ClN4S/c16-13-8-4-5-11(9-13)10-21-15-19-18-14(20(15)17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10,17H2
InChIKeyLDWKCMQTEOWPRU-UHFFFAOYSA-N
MW322.87 g/mol
LogP3.99
Rot. Bonds4

About 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine

3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine (PubChem CID 7710477) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
PubChem CID7710477
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2cccc(Cl)c2)nnc1C1CCCCC1
InChIInChI=1S/C15H19ClN4S/c16-13-8-4-5-11(9-13)10-21-15-19-18-14(20(15)17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10,17H2
InChIKeyLDWKCMQTEOWPRU-UHFFFAOYSA-N
XLogP3.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(3-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
CID 46672953
3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
CID 16556286
3-(2-bromophenyl)-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7691868
3-cyclohexyl-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 17303270
2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 6969999
3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 938114
3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
CID 24718780
[5-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313638
3-[(3-chlorophenyl)methylsulfanyl]-5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazole
CID 17383763
[1-[(3-chlorophenyl)methyl]-5-cyclohexyltriazol-4-yl]methanamine
CID 82203673
3-benzylsulfanyl-5-cyclohexyl-4-(2-methylphenyl)-1,2,4-triazole
CID 42798458
3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 4842107

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine (CID 7710477) is 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine is Nn1c(SCc2cccc(Cl)c2)nnc1C1CCCCC1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine?
The InChIKey is LDWKCMQTEOWPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c16-13-8-4-5-11(9-13)10-21-15-19-18-14(20(15)17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10,17H2.
What are the key properties of 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine?
3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine has a molecular weight of 322.87 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 7710477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).