1-(5-methyl-2-phenyltriazol-4-yl)ethanamine

C11H14N4 — CID 138006952

IUPAC1-(5-methyl-2-phenyltriazol-4-yl)ethanamine
SMILESCc1nn(-c2ccccc2)nc1C(C)N
InChIInChI=1S/C11H14N4/c1-8(12)11-9(2)13-15(14-11)10-6-4-3-5-7-10/h3-8H,12H2,1-2H3
InChIKeyOHZQMJBTZIKDCO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.60
Rot. Bonds2

About 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine

1-(5-methyl-2-phenyltriazol-4-yl)ethanamine (PubChem CID 138006952) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-2-phenyltriazol-4-yl)ethanamine
PubChem CID138006952
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-(5-methyl-2-phenyltriazol-4-yl)ethanamine
SMILESCc1nn(-c2ccccc2)nc1C(C)N
InChIInChI=1S/C11H14N4/c1-8(12)11-9(2)13-15(14-11)10-6-4-3-5-7-10/h3-8H,12H2,1-2H3
InChIKeyOHZQMJBTZIKDCO-UHFFFAOYSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine (CID 138006952) is 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine is Cc1nn(-c2ccccc2)nc1C(C)N.
What is the InChIKey of 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine?
The InChIKey is OHZQMJBTZIKDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(12)11-9(2)13-15(14-11)10-6-4-3-5-7-10/h3-8H,12H2,1-2H3.
What are the key properties of 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine?
1-(5-methyl-2-phenyltriazol-4-yl)ethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 138006952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).