3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole

C11H17N3S — CID 70805189

IUPAC3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole
SMILESc1nnc(SC2CCCCC2)n1C1CC1
InChIInChI=1S/C11H17N3S/c1-2-4-10(5-3-1)15-11-13-12-8-14(11)9-6-7-9/h8-10H,1-7H2
InChIKeyZYADMFPCZXFMMP-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.04
Rot. Bonds3

About 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole

3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole (PubChem CID 70805189) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole
PubChem CID70805189
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole
SMILESc1nnc(SC2CCCCC2)n1C1CC1
InChIInChI=1S/C11H17N3S/c1-2-4-10(5-3-1)15-11-13-12-8-14(11)9-6-7-9/h8-10H,1-7H2
InChIKeyZYADMFPCZXFMMP-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Fluoropentylsulfanyl)-4-propan-2-yl-1,2,4-triazole
CID 100630148
2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
CID 45864644
4-Butyl-3-decylsulfanyl-1,2,4-triazole
CID 12888445
3-Cyclohexylsulfanyl-4-octadecyl-1,2,4-triazole
CID 20382557
4-Butan-2-yl-3-dodecan-2-ylsulfanyl-1,2,4-triazole
CID 20382637
1-Cyclohexyl-5-hexylsulfanyl-1,2,4-triazole
CID 91286052
4-Cyclohexyl-3-methylsulfanyl-1,2,4-triazole
CID 140529348
3-Cycloheptylsulfanyl-4-ethyl-1,2,4-triazole
CID 154271897
4-Cyclohexyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
CID 12115540
3-(Cyclohexylmethylsulfanyl)-4-propan-2-yl-1,2,4-triazole
CID 45648368
3-(Cyclohexylmethylsulfanyl)-4-cyclopropyl-1,2,4-triazole
CID 45803752
4-Cyclopropyl-3-ethylsulfanyl-1,2,4-triazole
CID 45864643

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole?
The IUPAC name of 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole (CID 70805189) is 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole is c1nnc(SC2CCCCC2)n1C1CC1.
What is the InChIKey of 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole?
The InChIKey is ZYADMFPCZXFMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-4-10(5-3-1)15-11-13-12-8-14(11)9-6-7-9/h8-10H,1-7H2.
What are the key properties of 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole?
3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole has a molecular weight of 223.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-4-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 70805189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).