1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole

C14H19N3O2 — CID 121498205

IUPAC1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole
SMILESCCn1nc(C)nc1-c1ccc(OCCOC)cc1
InChIInChI=1S/C14H19N3O2/c1-4-17-14(15-11(2)16-17)12-5-7-13(8-6-12)19-10-9-18-3/h5-8H,4,9-10H2,1-3H3
InChIKeyIIVTVOBKMUGRHC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.30
Rot. Bonds6

About 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole

1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole (PubChem CID 121498205) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole
PubChem CID121498205
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole
SMILESCCn1nc(C)nc1-c1ccc(OCCOC)cc1
InChIInChI=1S/C14H19N3O2/c1-4-17-14(15-11(2)16-17)12-5-7-13(8-6-12)19-10-9-18-3/h5-8H,4,9-10H2,1-3H3
InChIKeyIIVTVOBKMUGRHC-UHFFFAOYSA-N
XLogP2.30
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5-phenyl-1,2,4-triazole
CID 56528691
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
CID 79485113
6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 72927700
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 122567754
3-[4-(2-methoxyethoxy)phenyl]-2-methylpyridine
CID 90168005
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 121066856
3,5-dimethyl-1-[(4-propoxyphenyl)methyl]-1,2,4-triazole
CID 84592616
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139
3-[4-[5,6-bis[4-(2-methoxyethoxy)phenyl]-1,2,4-triazin-3-yl]phenyl]-5,6-bis[4-(2-methoxyethoxy)phenyl]-1,2,4-triazine;methane
CID 159687313

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole (CID 121498205) is 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole is CCn1nc(C)nc1-c1ccc(OCCOC)cc1.
What is the InChIKey of 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole?
The InChIKey is IIVTVOBKMUGRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-14(15-11(2)16-17)12-5-7-13(8-6-12)19-10-9-18-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole?
1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole has a molecular weight of 261.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole is sourced from PubChem (CID 121498205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).