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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Related Compounds

1-(2,2-diethoxyethyl)-4-phenyltriazole
CID 134693344
methyl 1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate
CID 103882297
2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one
CID 110905257
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)triazol-4-yl]propanoic acid
CID 107461047
(1R)-1-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)ethanol
CID 134822246
2-[4-(4-methylphenyl)triazol-1-yl]ethane-1,1-diol
CID 134693308
(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol
CID 137411369
1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
(2S)-1-amino-3-[4-(4-ethoxyphenyl)triazol-1-yl]propan-2-ol
CID 156767774
tert-butyl N-[(2S,3S)-3-methyl-1-(4-phenyltriazol-1-yl)pentan-2-yl]carbamate
CID 102137466
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol
CID 124614806

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).