[5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol

C17H16BrN3O2 — CID 10761918

IUPAC[5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol
SMILESCOCn1nnc(Br)c1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16BrN3O2/c1-23-12-21-15(16(18)19-20-21)17(22,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,22H,12H2,1H3
InChIKeyGBPBDJUNLWZCBF-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.93
Rot. Bonds5

About [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol

[5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol (PubChem CID 10761918) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol
PubChem CID10761918
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name[5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol
SMILESCOCn1nnc(Br)c1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16BrN3O2/c1-23-12-21-15(16(18)19-20-21)17(22,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,22H,12H2,1H3
InChIKeyGBPBDJUNLWZCBF-UHFFFAOYSA-N
XLogP2.93
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-Octyl-5-(trifluoromethyl)triazol-4-yl]-diphenylmethanol
CID 101854994
(5-Bromo-3-methyltriazol-4-yl)-(4-fluoronaphthalen-1-yl)methanol
CID 105602734
1-(5-Bromo-3-methyltriazol-4-yl)-1-(4-fluorophenyl)ethanol
CID 106461067
1-(5-Bromo-3-methyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
CID 106461068
1-(5-Bromo-3-methyltriazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 106461069
(5-Bromo-3-methyltriazol-4-yl)-(4-fluorophenyl)methanol
CID 106461153
(5-Bromo-3-methyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 106461157
(5-Bromo-3-methyltriazol-4-yl)-(2-fluorophenyl)methanol
CID 106461162
(5-Bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol
CID 106461163
(5-Bromo-3-methyltriazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 106461164
(5-Bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol
CID 106461171
(5-Bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol?
The IUPAC name of [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol (CID 10761918) is [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol.
What is the SMILES notation for [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol?
The canonical SMILES for [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol is COCn1nnc(Br)c1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol?
The InChIKey is GBPBDJUNLWZCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-23-12-21-15(16(18)19-20-21)17(22,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,22H,12H2,1H3.
What are the key properties of [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol?
[5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol has a molecular weight of 374.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol is sourced from PubChem (CID 10761918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).