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

C14H21N5O — CID 107958246

IUPAC1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine
SMILESCCOc1ccc(-n2nc(N(CC)CC)nc2N)cc1
InChIInChI=1S/C14H21N5O/c1-4-18(5-2)14-16-13(15)19(17-14)11-7-9-12(10-8-11)20-6-3/h7-10H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyVJCVGIIEDDXXRA-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.09
Rot. Bonds6

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

1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine (PubChem CID 107958246) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine
PubChem CID107958246
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine
SMILESCCOc1ccc(-n2nc(N(CC)CC)nc2N)cc1
InChIInChI=1S/C14H21N5O/c1-4-18(5-2)14-16-13(15)19(17-14)11-7-9-12(10-8-11)20-6-3/h7-10H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyVJCVGIIEDDXXRA-UHFFFAOYSA-N
XLogP2.09
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine
CID 107958243
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
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)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138533
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
CID 43336761
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
N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772430

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine (CID 107958246) is 1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine is CCOc1ccc(-n2nc(N(CC)CC)nc2N)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is VJCVGIIEDDXXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-18(5-2)14-16-13(15)19(17-14)11-7-9-12(10-8-11)20-6-3/h7-10H,4-6H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine?
1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 275.36 g/mol, XLogP of 2.09, 6 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-diethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 107958246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).