[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol

C11H12FN3O2 — CID 56686728

IUPAC[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
SMILESCOCc1c(CO)nnn1-c1cccc(F)c1
InChIInChI=1S/C11H12FN3O2/c1-17-7-11-10(6-16)13-14-15(11)9-4-2-3-8(12)5-9/h2-5,16H,6-7H2,1H3
InChIKeyNGSMUIQKIZCLEQ-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.05
Rot. Bonds4

About [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol

[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol (PubChem CID 56686728) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
PubChem CID56686728
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
SMILESCOCc1c(CO)nnn1-c1cccc(F)c1
InChIInChI=1S/C11H12FN3O2/c1-17-7-11-10(6-16)13-14-15(11)9-4-2-3-8(12)5-9/h2-5,16H,6-7H2,1H3
InChIKeyNGSMUIQKIZCLEQ-UHFFFAOYSA-N
XLogP1.05
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol (CID 56686728) is [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol is COCc1c(CO)nnn1-c1cccc(F)c1.
What is the InChIKey of [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol?
The InChIKey is NGSMUIQKIZCLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-17-7-11-10(6-16)13-14-15(11)9-4-2-3-8(12)5-9/h2-5,16H,6-7H2,1H3.
What are the key properties of [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol?
[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol has a molecular weight of 237.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol is sourced from PubChem (CID 56686728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).