1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine

C17H18N4 — CID 62254228

IUPAC1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
SMILESCc1c(C(C)N)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N4/c1-12(18)17-13(2)21(20-19-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,18H2,1-2H3
InChIKeyIJGAHPORMBDEEZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.26
Rot. Bonds3

About 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine

1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine (PubChem CID 62254228) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
PubChem CID62254228
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
SMILESCc1c(C(C)N)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N4/c1-12(18)17-13(2)21(20-19-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,18H2,1-2H3
InChIKeyIJGAHPORMBDEEZ-UHFFFAOYSA-N
XLogP3.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine (CID 62254228) is 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine is Cc1c(C(C)N)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine?
The InChIKey is IJGAHPORMBDEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12(18)17-13(2)21(20-19-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,18H2,1-2H3.
What are the key properties of 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine?
1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 62254228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).