2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol

C16H23N3O2 — CID 79444206

IUPAC2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol
SMILESCC(C)Cn1ncnc1CC(CO)(CO)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(2)9-19-15(17-12-18-19)8-16(10-20,11-21)14-6-4-3-5-7-14/h3-7,12-13,20-21H,8-11H2,1-2H3
InChIKeyUHCPPGNUGCTTDG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.40
Rot. Bonds7

About 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol

2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol (PubChem CID 79444206) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol
PubChem CID79444206
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol
SMILESCC(C)Cn1ncnc1CC(CO)(CO)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(2)9-19-15(17-12-18-19)8-16(10-20,11-21)14-6-4-3-5-7-14/h3-7,12-13,20-21H,8-11H2,1-2H3
InChIKeyUHCPPGNUGCTTDG-UHFFFAOYSA-N
XLogP1.40
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol
CID 66058099
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol
CID 66023702
2-benzyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 79013748
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-ethyl-1,2,4-triazole
CID 79447337
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
2-(4-methylphenyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79444434
1-amino-2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66038636
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-propyl-1,2,4-triazole
CID 79448256
5-(3-chloro-2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 66060167
2-(4-bromophenyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79445514
2-methyl-1-(methylamino)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66040076

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol?
The IUPAC name of 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol (CID 79444206) is 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol.
What is the SMILES notation for 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol?
The canonical SMILES for 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol is CC(C)Cn1ncnc1CC(CO)(CO)c1ccccc1.
What is the InChIKey of 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol?
The InChIKey is UHCPPGNUGCTTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)9-19-15(17-12-18-19)8-16(10-20,11-21)14-6-4-3-5-7-14/h3-7,12-13,20-21H,8-11H2,1-2H3.
What are the key properties of 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol?
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol has a molecular weight of 289.38 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol is sourced from PubChem (CID 79444206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).