1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine

C14H17N7 — CID 43703266

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(-c2ccccc2)n1)c1nncn1C
InChIInChI=1S/C14H17N7/c1-11(14-18-16-10-20(14)2)15-8-12-9-17-21(19-12)13-6-4-3-5-7-13/h3-7,9-11,15H,8H2,1-2H3
InChIKeyFTQXSICHXBNJFY-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.25
Rot. Bonds5

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine (PubChem CID 43703266) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
PubChem CID43703266
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(-c2ccccc2)n1)c1nncn1C
InChIInChI=1S/C14H17N7/c1-11(14-18-16-10-20(14)2)15-8-12-9-17-21(19-12)13-6-4-3-5-7-13/h3-7,9-11,15H,8H2,1-2H3
InChIKeyFTQXSICHXBNJFY-UHFFFAOYSA-N
XLogP1.25
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine (CID 43703266) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine is CC(NCc1cnn(-c2ccccc2)n1)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine?
The InChIKey is FTQXSICHXBNJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-11(14-18-16-10-20(14)2)15-8-12-9-17-21(19-12)13-6-4-3-5-7-13/h3-7,9-11,15H,8H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43703266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).