4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline

C19H22N4O — CID 13174862

IUPAC4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
SMILESCCc1nnc(-c2ccc(N(C)C)cc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C19H22N4O/c1-5-18-20-21-19(14-6-8-15(9-7-14)22(2)3)23(18)16-10-12-17(24-4)13-11-16/h6-13H,5H2,1-4H3
InChIKeyKYFWEXJKWCFKDQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.57
Rot. Bonds5

About 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline

4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline (PubChem CID 13174862) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
PubChem CID13174862
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
SMILESCCc1nnc(-c2ccc(N(C)C)cc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C19H22N4O/c1-5-18-20-21-19(14-6-8-15(9-7-14)22(2)3)23(18)16-10-12-17(24-4)13-11-16/h6-13H,5H2,1-4H3
InChIKeyKYFWEXJKWCFKDQ-UHFFFAOYSA-N
XLogP3.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole
CID 70332319
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)-1,2,4-triazole
CID 59799916
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6867512
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 7813991
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
3-(imidazol-1-ylmethyl)-5-(4-iodophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
CID 59799879
6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 715491
2-[[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29074224

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline (CID 13174862) is 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline is CCc1nnc(-c2ccc(N(C)C)cc2)n1-c1ccc(OC)cc1.
What is the InChIKey of 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The InChIKey is KYFWEXJKWCFKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-5-18-20-21-19(14-6-8-15(9-7-14)22(2)3)23(18)16-10-12-17(24-4)13-11-16/h6-13H,5H2,1-4H3.
What are the key properties of 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline has a molecular weight of 322.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 13174862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).