N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine

C13H18N4O — CID 112596812

IUPACN,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccccc2OC)n1CC
InChIInChI=1S/C13H18N4O/c1-4-14-13-16-15-12(17(13)5-2)10-8-6-7-9-11(10)18-3/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyJORSETTYPIMOKG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds5

About N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine

N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine (PubChem CID 112596812) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
PubChem CID112596812
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccccc2OC)n1CC
InChIInChI=1S/C13H18N4O/c1-4-14-13-16-15-12(17(13)5-2)10-8-6-7-9-11(10)18-3/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyJORSETTYPIMOKG-UHFFFAOYSA-N
XLogP2.41
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-2-methoxyphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596709
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
4-ethyl-3-(2-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole
CID 47095919
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 3168318
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
methyl 4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 2573651
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one
CID 3926139
(1S)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 42187643
N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596888
N-(3,3-dimethylbutyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 87018753
4-ethyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 748123
N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
CID 115945460

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine (CID 112596812) is N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine is CCNc1nnc(-c2ccccc2OC)n1CC.
What is the InChIKey of N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine?
The InChIKey is JORSETTYPIMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-14-13-16-15-12(17(13)5-2)10-8-6-7-9-11(10)18-3/h6-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine has a molecular weight of 246.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).