1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine

C13H17ClN4 — CID 43671154

IUPAC1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1nnn(-c2cc(Cl)ccc2C)c1C
InChIInChI=1S/C13H17ClN4/c1-8-5-6-11(14)7-12(8)18-10(3)13(16-17-18)9(2)15-4/h5-7,9,15H,1-4H3
InChIKeyVICCHBOXKNEEAI-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.82
Rot. Bonds3

About 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine

1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine (PubChem CID 43671154) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
PubChem CID43671154
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1nnn(-c2cc(Cl)ccc2C)c1C
InChIInChI=1S/C13H17ClN4/c1-8-5-6-11(14)7-12(8)18-10(3)13(16-17-18)9(2)15-4/h5-7,9,15H,1-4H3
InChIKeyVICCHBOXKNEEAI-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine (CID 43671154) is 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine is CNC(C)c1nnn(-c2cc(Cl)ccc2C)c1C.
What is the InChIKey of 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The InChIKey is VICCHBOXKNEEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-8-5-6-11(14)7-12(8)18-10(3)13(16-17-18)9(2)15-4/h5-7,9,15H,1-4H3.
What are the key properties of 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 43671154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).