[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine

C14H20N4 — CID 82207508

IUPAC[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1CCc1ccc(C)cc1
InChIInChI=1S/C14H20N4/c1-3-18-14(13(10-15)16-17-18)9-8-12-6-4-11(2)5-7-12/h4-7H,3,8-10,15H2,1-2H3
InChIKeyFHNRMYQAVKVWSM-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.85
Rot. Bonds5

About [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine

[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine (PubChem CID 82207508) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
PubChem CID82207508
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1CCc1ccc(C)cc1
InChIInChI=1S/C14H20N4/c1-3-18-14(13(10-15)16-17-18)9-8-12-6-4-11(2)5-7-12/h4-7H,3,8-10,15H2,1-2H3
InChIKeyFHNRMYQAVKVWSM-UHFFFAOYSA-N
XLogP1.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine (CID 82207508) is [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine is CCn1nnc(CN)c1CCc1ccc(C)cc1.
What is the InChIKey of [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine?
The InChIKey is FHNRMYQAVKVWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-18-14(13(10-15)16-17-18)9-8-12-6-4-11(2)5-7-12/h4-7H,3,8-10,15H2,1-2H3.
What are the key properties of [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine?
[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82207508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).