cyclopentyl-(3-propyltriazol-4-yl)methanol

C11H19N3O — CID 114684940

IUPACcyclopentyl-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)C1CCCC1
InChIInChI=1S/C11H19N3O/c1-2-7-14-10(8-12-13-14)11(15)9-5-3-4-6-9/h8-9,11,15H,2-7H2,1H3
InChIKeyCMXLACBXCVPJII-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds4

About cyclopentyl-(3-propyltriazol-4-yl)methanol

cyclopentyl-(3-propyltriazol-4-yl)methanol (PubChem CID 114684940) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is cyclopentyl-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Namecyclopentyl-(3-propyltriazol-4-yl)methanol
PubChem CID114684940
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Namecyclopentyl-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)C1CCCC1
InChIInChI=1S/C11H19N3O/c1-2-7-14-10(8-12-13-14)11(15)9-5-3-4-6-9/h8-9,11,15H,2-7H2,1H3
InChIKeyCMXLACBXCVPJII-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-propyltriazol-4-yl)methanol?
The IUPAC name of cyclopentyl-(3-propyltriazol-4-yl)methanol (CID 114684940) is cyclopentyl-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for cyclopentyl-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for cyclopentyl-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)C1CCCC1.
What is the InChIKey of cyclopentyl-(3-propyltriazol-4-yl)methanol?
The InChIKey is CMXLACBXCVPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-7-14-10(8-12-13-14)11(15)9-5-3-4-6-9/h8-9,11,15H,2-7H2,1H3.
What are the key properties of cyclopentyl-(3-propyltriazol-4-yl)methanol?
cyclopentyl-(3-propyltriazol-4-yl)methanol has a molecular weight of 209.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114684940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).