1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine

C14H20N4 — CID 43671272

IUPAC1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1nnn(-c2cc(C)ccc2C)c1C
InChIInChI=1S/C14H20N4/c1-9-6-7-10(2)13(8-9)18-12(4)14(16-17-18)11(3)15-5/h6-8,11,15H,1-5H3
InChIKeyBPSBNUVCLDHGKT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.47
Rot. Bonds3

About 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine

1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine (PubChem CID 43671272) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
PubChem CID43671272
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1nnn(-c2cc(C)ccc2C)c1C
InChIInChI=1S/C14H20N4/c1-9-6-7-10(2)13(8-9)18-12(4)14(16-17-18)11(3)15-5/h6-8,11,15H,1-5H3
InChIKeyBPSBNUVCLDHGKT-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine (CID 43671272) is 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine is CNC(C)c1nnn(-c2cc(C)ccc2C)c1C.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The InChIKey is BPSBNUVCLDHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-6-7-10(2)13(8-9)18-12(4)14(16-17-18)11(3)15-5/h6-8,11,15H,1-5H3.
What are the key properties of 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 43671272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).