(1,5-dibutyltriazol-4-yl)methanol

C11H21N3O — CID 82205285

IUPAC(1,5-dibutyltriazol-4-yl)methanol
SMILESCCCCc1c(CO)nnn1CCCC
InChIInChI=1S/C11H21N3O/c1-3-5-7-11-10(9-15)12-13-14(11)8-6-4-2/h15H,3-9H2,1-2H3
InChIKeyIMWAJUHFQYSCBB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.91
Rot. Bonds7

About (1,5-dibutyltriazol-4-yl)methanol

(1,5-dibutyltriazol-4-yl)methanol (PubChem CID 82205285) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1,5-dibutyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1,5-dibutyltriazol-4-yl)methanol
PubChem CID82205285
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1,5-dibutyltriazol-4-yl)methanol
SMILESCCCCc1c(CO)nnn1CCCC
InChIInChI=1S/C11H21N3O/c1-3-5-7-11-10(9-15)12-13-14(11)8-6-4-2/h15H,3-9H2,1-2H3
InChIKeyIMWAJUHFQYSCBB-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dibutyltriazol-4-yl)methanol?
The IUPAC name of (1,5-dibutyltriazol-4-yl)methanol (CID 82205285) is (1,5-dibutyltriazol-4-yl)methanol.
What is the SMILES notation for (1,5-dibutyltriazol-4-yl)methanol?
The canonical SMILES for (1,5-dibutyltriazol-4-yl)methanol is CCCCc1c(CO)nnn1CCCC.
What is the InChIKey of (1,5-dibutyltriazol-4-yl)methanol?
The InChIKey is IMWAJUHFQYSCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-5-7-11-10(9-15)12-13-14(11)8-6-4-2/h15H,3-9H2,1-2H3.
What are the key properties of (1,5-dibutyltriazol-4-yl)methanol?
(1,5-dibutyltriazol-4-yl)methanol has a molecular weight of 211.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dibutyltriazol-4-yl)methanol is sourced from PubChem (CID 82205285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).