2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol

C12H21N3O2 — CID 113374500

IUPAC2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
SMILESOCCCc1cn(C2CCCCCC2O)nn1
InChIInChI=1S/C12H21N3O2/c16-8-4-5-10-9-15(14-13-10)11-6-2-1-3-7-12(11)17/h9,11-12,16-17H,1-8H2
InChIKeyXQJZUBAIZZSTAM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.07
Rot. Bonds4

About 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol

2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol (PubChem CID 113374500) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
PubChem CID113374500
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
SMILESOCCCc1cn(C2CCCCCC2O)nn1
InChIInChI=1S/C12H21N3O2/c16-8-4-5-10-9-15(14-13-10)11-6-2-1-3-7-12(11)17/h9,11-12,16-17H,1-8H2
InChIKeyXQJZUBAIZZSTAM-UHFFFAOYSA-N
XLogP1.07
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
CID 101445678
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
CID 107460597
2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
CID 107461685
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-(4-methyltriazol-1-yl)cyclopentan-1-ol
CID 77393104
trans-(1R,2R)-4,4-bis(hydroxymethyl)-2-(4-pentyltriazol-1-yl)cyclopentan-1-ol
CID 24763252
trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol
CID 166314667
2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
CID 114419711
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
CID 24970946

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol?
The IUPAC name of 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol (CID 113374500) is 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol.
What is the SMILES notation for 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol?
The canonical SMILES for 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol is OCCCc1cn(C2CCCCCC2O)nn1.
What is the InChIKey of 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol?
The InChIKey is XQJZUBAIZZSTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-8-4-5-10-9-15(14-13-10)11-6-2-1-3-7-12(11)17/h9,11-12,16-17H,1-8H2.
What are the key properties of 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol?
2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol is sourced from PubChem (CID 113374500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).