N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C15H14BrN5 — CID 43691613

IUPACN-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(Nc1ccc(-n2cncn2)nc1)c1ccccc1Br
InChIInChI=1S/C15H14BrN5/c1-11(13-4-2-3-5-14(13)16)20-12-6-7-15(18-8-12)21-10-17-9-19-21/h2-11,20H,1H3
InChIKeyYLORQUDGBYZTKO-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.60
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 43691613) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID43691613
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC NameN-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(Nc1ccc(-n2cncn2)nc1)c1ccccc1Br
InChIInChI=1S/C15H14BrN5/c1-11(13-4-2-3-5-14(13)16)20-12-6-7-15(18-8-12)21-10-17-9-19-21/h2-11,20H,1H3
InChIKeyYLORQUDGBYZTKO-UHFFFAOYSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 43691613) is N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CC(Nc1ccc(-n2cncn2)nc1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is YLORQUDGBYZTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-11(13-4-2-3-5-14(13)16)20-12-6-7-15(18-8-12)21-10-17-9-19-21/h2-11,20H,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 344.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 43691613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).