5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole

C12H15N3O — CID 61336343

IUPAC5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole
SMILESCCCc1n[nH]c(COc2ccccc2)n1
InChIInChI=1S/C12H15N3O/c1-2-6-11-13-12(15-14-11)9-16-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,13,14,15)
InChIKeyOGHDEMNPFGMOQI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.34
Rot. Bonds5

About 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole

5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole (PubChem CID 61336343) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole
PubChem CID61336343
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole
SMILESCCCc1n[nH]c(COc2ccccc2)n1
InChIInChI=1S/C12H15N3O/c1-2-6-11-13-12(15-14-11)9-16-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,13,14,15)
InChIKeyOGHDEMNPFGMOQI-UHFFFAOYSA-N
XLogP2.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-propyl-1H-1,2,4-triazol-5-yl)methoxy]aniline
CID 63771862
[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 82568163
3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
CID 61337716
5-[(4-chlorophenoxy)methyl]-3-ethyl-1H-1,2,4-triazole
CID 61278331
N-tert-butyl-2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 43860040
2-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62536890
5-(2-methylpropyl)-3-propyl-1H-1,2,4-triazole
CID 61337321
3-cyclopropyl-5-(phenoxymethyl)-1H-1,2,4-triazole
CID 61336550
3-(methoxymethyl)-5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazole
CID 166399665
5-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120972223
5-[(4-methylphenyl)methyl]-3-propyl-1H-1,2,4-triazole
CID 61337312
N-(4-methylphenyl)-5-(phenoxymethyl)-1H-1,2,4-triazol-3-amine
CID 10378921

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole?
The IUPAC name of 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole (CID 61336343) is 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole is CCCc1n[nH]c(COc2ccccc2)n1.
What is the InChIKey of 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole?
The InChIKey is OGHDEMNPFGMOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-6-11-13-12(15-14-11)9-16-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,13,14,15).
What are the key properties of 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole?
5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole has a molecular weight of 217.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 61336343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).