1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine

C12H17N5O — CID 107958243

IUPAC1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine
SMILESCCOc1ccc(-n2nc(N(C)C)nc2N)cc1
InChIInChI=1S/C12H17N5O/c1-4-18-10-7-5-9(6-8-10)17-11(13)14-12(15-17)16(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15)
InChIKeyDRUKASOFXWXHEA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.31
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine

1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine (PubChem CID 107958243) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine
PubChem CID107958243
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine
SMILESCCOc1ccc(-n2nc(N(C)C)nc2N)cc1
InChIInChI=1S/C12H17N5O/c1-4-18-10-7-5-9(6-8-10)17-11(13)14-12(15-17)16(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15)
InChIKeyDRUKASOFXWXHEA-UHFFFAOYSA-N
XLogP1.31
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine
CID 107958246
2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 107958242
4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine
CID 114020779
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
4-ethoxy-N,N-dimethylaniline
CID 3624890
3-(2,2-dimethylpropyl)-1-(4-ethoxyphenyl)-4-iodopyrazol-5-amine
CID 107958439
1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192766
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
CID 43336761
3-(4-ethoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138533
1-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652311
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
5-(4-ethoxyphenyl)-3-methylimidazol-4-amine
CID 62018469

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine (CID 107958243) is 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine is CCOc1ccc(-n2nc(N(C)C)nc2N)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is DRUKASOFXWXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-18-10-7-5-9(6-8-10)17-11(13)14-12(15-17)16(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine?
1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 107958243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).