1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol

C14H19N3O2 — CID 139241140

IUPAC1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C14H19N3O2/c1-11(2)19-10-13(18)8-17-9-14(15-16-17)12-6-4-3-5-7-12/h3-7,9,11,13,18H,8,10H2,1-2H3
InChIKeyDKTCKBRIKUKLOI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds6

About 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol

1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 139241140) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID139241140
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C14H19N3O2/c1-11(2)19-10-13(18)8-17-9-14(15-16-17)12-6-4-3-5-7-12/h3-7,9,11,13,18H,8,10H2,1-2H3
InChIKeyDKTCKBRIKUKLOI-UHFFFAOYSA-N
XLogP1.73
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol (CID 139241140) is 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)Cn1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is DKTCKBRIKUKLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(2)19-10-13(18)8-17-9-14(15-16-17)12-6-4-3-5-7-12/h3-7,9,11,13,18H,8,10H2,1-2H3.
What are the key properties of 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol?
1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 139241140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).