2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

C10H12N4 — CID 61361423

IUPAC2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESNC(Cc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C10H12N4/c11-9(10-12-7-13-14-10)6-8-4-2-1-3-5-8/h1-5,7,9H,6,11H2,(H,12,13,14)
InChIKeyAXMNKOLZLQLXHC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.05
Rot. Bonds3

About 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 61361423) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID61361423
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESNC(Cc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C10H12N4/c11-9(10-12-7-13-14-10)6-8-4-2-1-3-5-8/h1-5,7,9H,6,11H2,(H,12,13,14)
InChIKeyAXMNKOLZLQLXHC-UHFFFAOYSA-N
XLogP1.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 61361423) is 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is NC(Cc1ccccc1)c1ncn[nH]1.
What is the InChIKey of 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is AXMNKOLZLQLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-9(10-12-7-13-14-10)6-8-4-2-1-3-5-8/h1-5,7,9H,6,11H2,(H,12,13,14).
What are the key properties of 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 188.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 61361423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).