2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol

C11H20N4OS — CID 55205630

IUPAC2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol
SMILESCCn1c(CN)nnc1SC1CCCCC1O
InChIInChI=1S/C11H20N4OS/c1-2-15-10(7-12)13-14-11(15)17-9-6-4-3-5-8(9)16/h8-9,16H,2-7,12H2,1H3
InChIKeyAMZVDMXXMHMTLO-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.15
Rot. Bonds4

About 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol

2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol (PubChem CID 55205630) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol
PubChem CID55205630
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol
SMILESCCn1c(CN)nnc1SC1CCCCC1O
InChIInChI=1S/C11H20N4OS/c1-2-15-10(7-12)13-14-11(15)17-9-6-4-3-5-8(9)16/h8-9,16H,2-7,12H2,1H3
InChIKeyAMZVDMXXMHMTLO-UHFFFAOYSA-N
XLogP1.15
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol?
The IUPAC name of 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol (CID 55205630) is 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol is CCn1c(CN)nnc1SC1CCCCC1O.
What is the InChIKey of 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol?
The InChIKey is AMZVDMXXMHMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-2-15-10(7-12)13-14-11(15)17-9-6-4-3-5-8(9)16/h8-9,16H,2-7,12H2,1H3.
What are the key properties of 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol?
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol has a molecular weight of 256.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol is sourced from PubChem (CID 55205630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).