2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

C14H20N4 — CID 65360450

IUPAC2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1ncn[nH]1
InChIInChI=1S/C14H20N4/c1-4-15-13(14-16-9-17-18-14)8-12-7-10(2)5-6-11(12)3/h5-7,9,13,15H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyFWVZBZWWEIRPDL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 65360450) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID65360450
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1ncn[nH]1
InChIInChI=1S/C14H20N4/c1-4-15-13(14-16-9-17-18-14)8-12-7-10(2)5-6-11(12)3/h5-7,9,13,15H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyFWVZBZWWEIRPDL-UHFFFAOYSA-N
XLogP2.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360249
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65360079
2-(2,5-dimethylphenyl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105101215
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360132
N-[2-(4-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114347986
N-[1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 65360790
3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 65360457
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362967
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
2-(2,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 61481816
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360837

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 65360450) is 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is CCNC(Cc1cc(C)ccc1C)c1ncn[nH]1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is FWVZBZWWEIRPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-15-13(14-16-9-17-18-14)8-12-7-10(2)5-6-11(12)3/h5-7,9,13,15H,4,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 65360450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).