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

C14H20N4 — CID 114167967

IUPAC1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCc1ccc(C)c(C(C)NC(C)c2ncn[nH]2)c1
InChIInChI=1S/C14H20N4/c1-9-5-6-10(2)13(7-9)11(3)17-12(4)14-15-8-16-18-14/h5-8,11-12,17H,1-4H3,(H,15,16,18)
InChIKeyCSGBMKRFVCZJDV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.83
Rot. Bonds4

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

1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (PubChem CID 114167967) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
PubChem CID114167967
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCc1ccc(C)c(C(C)NC(C)c2ncn[nH]2)c1
InChIInChI=1S/C14H20N4/c1-9-5-6-10(2)13(7-9)11(3)17-12(4)14-15-8-16-18-14/h5-8,11-12,17H,1-4H3,(H,15,16,18)
InChIKeyCSGBMKRFVCZJDV-UHFFFAOYSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282283
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
4-fluoro-2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]phenol
CID 106282053
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
N-[(4-methylphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103952879
N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350300
1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281938
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362959
2-amino-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281114
5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283670

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (CID 114167967) is 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is Cc1ccc(C)c(C(C)NC(C)c2ncn[nH]2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The InChIKey is CSGBMKRFVCZJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-5-6-10(2)13(7-9)11(3)17-12(4)14-15-8-16-18-14/h5-8,11-12,17H,1-4H3,(H,15,16,18).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 114167967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).