(1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol

C26H27N3O — CID 102109635

IUPAC(1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol
SMILESCCCCc1c(C(O)(c2ccccc2)c2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C26H27N3O/c1-2-3-19-24-25(27-28-29(24)20-21-13-7-4-8-14-21)26(30,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,30H,2-3,19-20H2,1H3
InChIKeyZPOGPQPSXPTGMD-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.95
Rot. Bonds8

About (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol

(1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol (PubChem CID 102109635) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol.

Molecular Properties

Compound Name(1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol
PubChem CID102109635
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name(1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol
SMILESCCCCc1c(C(O)(c2ccccc2)c2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C26H27N3O/c1-2-3-19-24-25(27-28-29(24)20-21-13-7-4-8-14-21)26(30,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,30H,2-3,19-20H2,1H3
InChIKeyZPOGPQPSXPTGMD-UHFFFAOYSA-N
XLogP4.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol?
The IUPAC name of (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol (CID 102109635) is (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol.
What is the SMILES notation for (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol?
The canonical SMILES for (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol is CCCCc1c(C(O)(c2ccccc2)c2ccccc2)nnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol?
The InChIKey is ZPOGPQPSXPTGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-2-3-19-24-25(27-28-29(24)20-21-13-7-4-8-14-21)26(30,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,30H,2-3,19-20H2,1H3.
What are the key properties of (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol?
(1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol has a molecular weight of 397.52 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-butyltriazol-4-yl)-diphenylmethanol is sourced from PubChem (CID 102109635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).