2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol

C11H20N4O — CID 61363341

IUPAC2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCc1nnc(C(N)CO)n1C1CCCCC1
InChIInChI=1S/C11H20N4O/c1-8-13-14-11(10(12)7-16)15(8)9-5-3-2-4-6-9/h9-10,16H,2-7,12H2,1H3
InChIKeyJEPVFCPUHOHQGD-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.08
Rot. Bonds3

About 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol

2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 61363341) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID61363341
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCc1nnc(C(N)CO)n1C1CCCCC1
InChIInChI=1S/C11H20N4O/c1-8-13-14-11(10(12)7-16)15(8)9-5-3-2-4-6-9/h9-10,16H,2-7,12H2,1H3
InChIKeyJEPVFCPUHOHQGD-UHFFFAOYSA-N
XLogP1.08
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol (CID 61363341) is 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol is Cc1nnc(C(N)CO)n1C1CCCCC1.
What is the InChIKey of 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is JEPVFCPUHOHQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-13-14-11(10(12)7-16)15(8)9-5-3-2-4-6-9/h9-10,16H,2-7,12H2,1H3.
What are the key properties of 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol?
2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 224.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 61363341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).