3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole

C13H17N3O — CID 113301287

IUPAC3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1ccc(OCC)cc1
InChIInChI=1S/C13H17N3O/c1-3-9-16-10-14-15-13(16)11-5-7-12(8-6-11)17-4-2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyUPEXKQCMLVLGRB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.75
Rot. Bonds5

About 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole

3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole (PubChem CID 113301287) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
PubChem CID113301287
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1ccc(OCC)cc1
InChIInChI=1S/C13H17N3O/c1-3-9-16-10-14-15-13(16)11-5-7-12(8-6-11)17-4-2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyUPEXKQCMLVLGRB-UHFFFAOYSA-N
XLogP2.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074
3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole
CID 113301344
2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694499
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
3-(4-butoxyphenyl)-4-tert-butyl-1,2,4-triazole
CID 115394412
3-(3-chloro-5-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395140
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
3-(4-ethoxyphenyl)-1,2,4,5-tetrazine
CID 172602798
N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 126806210
2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041380
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
6-(4-ethoxyphenyl)-2,3-dimethyloxazine;hydrochloride
CID 70082574

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole (CID 113301287) is 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1ccc(OCC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole?
The InChIKey is UPEXKQCMLVLGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-9-16-10-14-15-13(16)11-5-7-12(8-6-11)17-4-2/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole?
3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole has a molecular weight of 231.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 113301287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).