[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

C13H21N3O2 — CID 113301473

IUPAC[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1CC2CCC1C2
InChIInChI=1S/C13H21N3O2/c1-18-5-4-16-12(8-17)14-15-13(16)11-7-9-2-3-10(11)6-9/h9-11,17H,2-8H2,1H3
InChIKeyPSGCWTOCIXAERH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.32
Rot. Bonds5

About [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 113301473) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID113301473
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1CC2CCC1C2
InChIInChI=1S/C13H21N3O2/c1-18-5-4-16-12(8-17)14-15-13(16)11-7-9-2-3-10(11)6-9/h9-11,17H,2-8H2,1H3
InChIKeyPSGCWTOCIXAERH-UHFFFAOYSA-N
XLogP1.32
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593751
[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
CID 114827237
[5-(1,1-dioxothian-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 104523013
3-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)-4-methyl-1,2,4-triazole
CID 115399854
[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol
CID 91781965
5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 91785731
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91774265
[5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395987
2-amino-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpyrimidine-5-carboxamide
CID 91780193
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,6-dimethylpyridine-3-carboxamide
CID 91790714
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
CID 91780129
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 91791621

Frequently Asked Questions

What is the IUPAC name of [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 113301473) is [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C1CC2CCC1C2.
What is the InChIKey of [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is PSGCWTOCIXAERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-5-4-16-12(8-17)14-15-13(16)11-7-9-2-3-10(11)6-9/h9-11,17H,2-8H2,1H3.
What are the key properties of [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).