2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol

C15H21N3O — CID 66058099

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol
SMILESCCn1ncnc1CC(CC)(CO)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-15(11-19,13-8-6-5-7-9-13)10-14-16-12-17-18(14)4-2/h5-9,12,19H,3-4,10-11H2,1-2H3
InChIKeyRLDHULCRCLHGNK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol (PubChem CID 66058099) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol
PubChem CID66058099
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol
SMILESCCn1ncnc1CC(CC)(CO)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-15(11-19,13-8-6-5-7-9-13)10-14-16-12-17-18(14)4-2/h5-9,12,19H,3-4,10-11H2,1-2H3
InChIKeyRLDHULCRCLHGNK-UHFFFAOYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-ethyl-1,2,4-triazole
CID 79447337
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol
CID 79444206
2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506110
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-propyl-1,2,4-triazole
CID 79448256
2-(4-methylphenyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79444434
1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol
CID 114872482
5-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1-ethyl-1,2,4-triazole
CID 79453731
3-[1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481288
5-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1-ethyl-1,2,4-triazole
CID 79453425
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
2-(furan-3-ylmethyl)-2-phenylbutan-1-ol
CID 83183122
2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
CID 66059776

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol (CID 66058099) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol is CCn1ncnc1CC(CC)(CO)c1ccccc1.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol?
The InChIKey is RLDHULCRCLHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(11-19,13-8-6-5-7-9-13)10-14-16-12-17-18(14)4-2/h5-9,12,19H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol?
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol is sourced from PubChem (CID 66058099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).