[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol

C6H10FN3O — CID 81114047

IUPAC[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1CCCF
InChIInChI=1S/C6H10FN3O/c7-2-1-3-10-6(4-11)8-5-9-10/h5,11H,1-4H2
InChIKeyOLSAXWQRVVZCDD-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.13
Rot. Bonds4

About [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol

[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 81114047) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID81114047
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1CCCF
InChIInChI=1S/C6H10FN3O/c7-2-1-3-10-6(4-11)8-5-9-10/h5,11H,1-4H2
InChIKeyOLSAXWQRVVZCDD-UHFFFAOYSA-N
XLogP0.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
[2-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 116618007
[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406934
[2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103183861
[2-(2-phenylsulfanylethyl)-1,2,4-triazol-3-yl]methanol
CID 79228386
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 105408744
[2-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 130578455
[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 127004844
[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 114166751
[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103049909
[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 102620083

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol (CID 81114047) is [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol is OCc1ncnn1CCCF.
What is the InChIKey of [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is OLSAXWQRVVZCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c7-2-1-3-10-6(4-11)8-5-9-10/h5,11H,1-4H2.
What are the key properties of [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol?
[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 159.16 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 81114047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).