N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine

C12H16N4O — CID 126806210

IUPACN-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCCOc1ccc(CNc2nncn2C)cc1
InChIInChI=1S/C12H16N4O/c1-3-17-11-6-4-10(5-7-11)8-13-12-15-14-9-16(12)2/h4-7,9H,3,8H2,1-2H3,(H,13,15)
InChIKeyIAPYZLORXXQASB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.83
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine

N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine (PubChem CID 126806210) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
PubChem CID126806210
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCCOc1ccc(CNc2nncn2C)cc1
InChIInChI=1S/C12H16N4O/c1-3-17-11-6-4-10(5-7-11)8-13-12-15-14-9-16(12)2/h4-7,9H,3,8H2,1-2H3,(H,13,15)
InChIKeyIAPYZLORXXQASB-UHFFFAOYSA-N
XLogP1.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702990
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
1-[3,5-bis[(4-ethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone
CID 7326566
3-[(4-ethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxamide
CID 122168188
5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163326916
N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 17206624
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 44615786
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
CID 122168215
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
CID 113301287

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine (CID 126806210) is N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine is CCOc1ccc(CNc2nncn2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is IAPYZLORXXQASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-17-11-6-4-10(5-7-11)8-13-12-15-14-9-16(12)2/h4-7,9H,3,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine?
N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 126806210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).