2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid

C11H17N3O3 — CID 107461685

IUPAC2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(C2CCCCCC2O)nn1
InChIInChI=1S/C11H17N3O3/c15-10-5-3-1-2-4-9(10)14-7-8(12-13-14)6-11(16)17/h7,9-10,15H,1-6H2,(H,16,17)
InChIKeyQETFFFAIDWZVJU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.77
Rot. Bonds3

About 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid

2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid (PubChem CID 107461685) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
PubChem CID107461685
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(C2CCCCCC2O)nn1
InChIInChI=1S/C11H17N3O3/c15-10-5-3-1-2-4-9(10)14-7-8(12-13-14)6-11(16)17/h7,9-10,15H,1-6H2,(H,16,17)
InChIKeyQETFFFAIDWZVJU-UHFFFAOYSA-N
XLogP0.77
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
CID 107460597
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
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
trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861982
trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861983
2-[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]acetic acid
CID 107461300
2-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461579
2-(4-methyltriazol-1-yl)cyclopentan-1-ol
CID 77393104
trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
CID 24970946
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol
CID 166314667

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid (CID 107461685) is 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid is O=C(O)Cc1cn(C2CCCCCC2O)nn1.
What is the InChIKey of 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid?
The InChIKey is QETFFFAIDWZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-10-5-3-1-2-4-9(10)14-7-8(12-13-14)6-11(16)17/h7,9-10,15H,1-6H2,(H,16,17).
What are the key properties of 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid?
2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid is sourced from PubChem (CID 107461685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).