2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol

C15H21N3O — CID 127050005

IUPAC2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol
SMILESCCc1nn(CCO)nc1Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H21N3O/c1-4-14-15(17-18(16-14)5-6-19)10-13-8-11(2)7-12(3)9-13/h7-9,19H,4-6,10H2,1-3H3
InChIKeyVHKMETHJAFQRAQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.04
Rot. Bonds5

About 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol

2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol (PubChem CID 127050005) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol
PubChem CID127050005
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol
SMILESCCc1nn(CCO)nc1Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H21N3O/c1-4-14-15(17-18(16-14)5-6-19)10-13-8-11(2)7-12(3)9-13/h7-9,19H,4-6,10H2,1-3H3
InChIKeyVHKMETHJAFQRAQ-UHFFFAOYSA-N
XLogP2.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol (CID 127050005) is 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol is CCc1nn(CCO)nc1Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol?
The InChIKey is VHKMETHJAFQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-14-15(17-18(16-14)5-6-19)10-13-8-11(2)7-12(3)9-13/h7-9,19H,4-6,10H2,1-3H3.
What are the key properties of 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol?
2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol is sourced from PubChem (CID 127050005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).