[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol

C10H10FN3O — CID 62399391

IUPAC[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol
SMILESCc1cc(F)ccc1-n1cc(CO)nn1
InChIInChI=1S/C10H10FN3O/c1-7-4-8(11)2-3-10(7)14-5-9(6-15)12-13-14/h2-5,15H,6H2,1H3
InChIKeyBUCIXARPEXIWAV-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.21
Rot. Bonds2

About [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol

[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol (PubChem CID 62399391) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol
PubChem CID62399391
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol
SMILESCc1cc(F)ccc1-n1cc(CO)nn1
InChIInChI=1S/C10H10FN3O/c1-7-4-8(11)2-3-10(7)14-5-9(6-15)12-13-14/h2-5,15H,6H2,1H3
InChIKeyBUCIXARPEXIWAV-UHFFFAOYSA-N
XLogP1.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53474093
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CID 75176207
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CID 56828295
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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol (CID 62399391) is [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol is Cc1cc(F)ccc1-n1cc(CO)nn1.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol?
The InChIKey is BUCIXARPEXIWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-7-4-8(11)2-3-10(7)14-5-9(6-15)12-13-14/h2-5,15H,6H2,1H3.
What are the key properties of [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol?
[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol has a molecular weight of 207.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 62399391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).