2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol

C11H20N4O — CID 116642075

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
SMILESNCCc1cn(C2CCCCCC2O)nn1
InChIInChI=1S/C11H20N4O/c12-7-6-9-8-15(14-13-9)10-4-2-1-3-5-11(10)16/h8,10-11,16H,1-7,12H2
InChIKeyRVUZFKZFRFZFKS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds3

About 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol

2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol (PubChem CID 116642075) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
PubChem CID116642075
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
SMILESNCCc1cn(C2CCCCCC2O)nn1
InChIInChI=1S/C11H20N4O/c12-7-6-9-8-15(14-13-9)10-4-2-1-3-5-11(10)16/h8,10-11,16H,1-7,12H2
InChIKeyRVUZFKZFRFZFKS-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
CID 113374500
trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
CID 101445678
3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
CID 107460597
2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
CID 107461685
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861982
2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
CID 116641962
trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861983
2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
CID 114419711
2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine
CID 116642225
2-(4-methyltriazol-1-yl)cyclopentan-1-ol
CID 77393104
2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine
CID 116641788

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol (CID 116642075) is 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol is NCCc1cn(C2CCCCCC2O)nn1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol?
The InChIKey is RVUZFKZFRFZFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-7-6-9-8-15(14-13-9)10-4-2-1-3-5-11(10)16/h8,10-11,16H,1-7,12H2.
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol?
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol is sourced from PubChem (CID 116642075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).