2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine

C11H14N4 — CID 117291049

IUPAC2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccccc1-n1cncn1
InChIInChI=1S/C11H14N4/c1-11(2,12)9-5-3-4-6-10(9)15-8-13-7-14-15/h3-8H,12H2,1-2H3
InChIKeyCANYEFUHSFTRLK-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.46
Rot. Bonds2

About 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine

2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine (PubChem CID 117291049) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
PubChem CID117291049
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccccc1-n1cncn1
InChIInChI=1S/C11H14N4/c1-11(2,12)9-5-3-4-6-10(9)15-8-13-7-14-15/h3-8H,12H2,1-2H3
InChIKeyCANYEFUHSFTRLK-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine (CID 117291049) is 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine is CC(C)(N)c1ccccc1-n1cncn1.
What is the InChIKey of 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine?
The InChIKey is CANYEFUHSFTRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,12)9-5-3-4-6-10(9)15-8-13-7-14-15/h3-8H,12H2,1-2H3.
What are the key properties of 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine?
2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine has a molecular weight of 202.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117291049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).