5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole

C18H23N7S — CID 51942037

IUPAC5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole
SMILESCc1nnc(S[C@H](C)c2nnnn2-c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C18H23N7S/c1-13(17-20-22-23-25(17)16-11-7-4-8-12-16)26-18-21-19-14(2)24(18)15-9-5-3-6-10-15/h4,7-8,11-13,15H,3,5-6,9-10H2,1-2H3/t13-/m1/s1
InChIKeyMNSNYZHKKZDEDG-CYBMUJFWSA-N
MW369.50 g/mol
LogP3.92
Rot. Bonds5

About 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole

5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole (PubChem CID 51942037) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole
PubChem CID51942037
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC Name5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole
SMILESCc1nnc(S[C@H](C)c2nnnn2-c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C18H23N7S/c1-13(17-20-22-23-25(17)16-11-7-4-8-12-16)26-18-21-19-14(2)24(18)15-9-5-3-6-10-15/h4,7-8,11-13,15H,3,5-6,9-10H2,1-2H3/t13-/m1/s1
InChIKeyMNSNYZHKKZDEDG-CYBMUJFWSA-N
XLogP3.92
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole with MolForge

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Related Compounds

4-[4-phenyl-5-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 46435108
5-[1-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1-phenyltetrazole
CID 46435164
5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole
CID 51954889
5-[(1S)-1-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1-phenyltetrazole
CID 51954860
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 40938120
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 41147237
(2R)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7416842
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 7416920
3-(oxolan-2-ylmethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 46435151
4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole
CID 130719695
(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 104899179
(2R)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 39967243

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole?
The IUPAC name of 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole (CID 51942037) is 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole is Cc1nnc(S[C@H](C)c2nnnn2-c2ccccc2)n1C1CCCCC1.
What is the InChIKey of 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole?
The InChIKey is MNSNYZHKKZDEDG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N7S/c1-13(17-20-22-23-25(17)16-11-7-4-8-12-16)26-18-21-19-14(2)24(18)15-9-5-3-6-10-15/h4,7-8,11-13,15H,3,5-6,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole?
5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole has a molecular weight of 369.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-phenyltetrazole is sourced from PubChem (CID 51942037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).