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

C10H12N4 — CID 22390713

IUPAC2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C10H12N4/c11-6-5-9-1-3-10(4-2-9)14-7-12-13-8-14/h1-4,7-8H,5-6,11H2
InChIKeyRFVLUEHMLQTRRC-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.77
Rot. Bonds3

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

2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine (PubChem CID 22390713) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine
PubChem CID22390713
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine
SMILESNCCc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C10H12N4/c11-6-5-9-1-3-10(4-2-9)14-7-12-13-8-14/h1-4,7-8H,5-6,11H2
InChIKeyRFVLUEHMLQTRRC-UHFFFAOYSA-N
XLogP0.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine (CID 22390713) is 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine is NCCc1ccc(-n2cnnc2)cc1.
What is the InChIKey of 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine?
The InChIKey is RFVLUEHMLQTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-6-5-9-1-3-10(4-2-9)14-7-12-13-8-14/h1-4,7-8H,5-6,11H2.
What are the key properties of 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine?
2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine has a molecular weight of 188.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-triazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 22390713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).