1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol

C13H17N3O — CID 113482605

IUPAC1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol
SMILESCCc1cccc(-n2cc(C(O)CC)nn2)c1
InChIInChI=1S/C13H17N3O/c1-3-10-6-5-7-11(8-10)16-9-12(14-15-16)13(17)4-2/h5-9,13,17H,3-4H2,1-2H3
InChIKeyNKRFJRAOGRPVMK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.27
Rot. Bonds4

About 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol

1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol (PubChem CID 113482605) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol
PubChem CID113482605
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol
SMILESCCc1cccc(-n2cc(C(O)CC)nn2)c1
InChIInChI=1S/C13H17N3O/c1-3-10-6-5-7-11(8-10)16-9-12(14-15-16)13(17)4-2/h5-9,13,17H,3-4H2,1-2H3
InChIKeyNKRFJRAOGRPVMK-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113482604
1-[1-(2,6-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 136572305
1-[1-(4-chloro-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113482589
1-(3-ethylphenyl)triazole-4-carbohydrazide
CID 112708382
1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
CID 114262787
1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226775
1-[1-(2,4,5-trifluorophenyl)triazol-4-yl]propan-1-ol
CID 113482617
2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919
1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine
CID 114160847
1-[1-(2-nitrophenyl)triazol-4-yl]propan-1-ol
CID 113482580
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine
CID 106227126

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol (CID 113482605) is 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol is CCc1cccc(-n2cc(C(O)CC)nn2)c1.
What is the InChIKey of 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol?
The InChIKey is NKRFJRAOGRPVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-10-6-5-7-11(8-10)16-9-12(14-15-16)13(17)4-2/h5-9,13,17H,3-4H2,1-2H3.
What are the key properties of 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol?
1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113482605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).