1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine

C14H14N4 — CID 83871147

IUPAC1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
SMILESCC(N)c1cccc2nnc(-c3ccccc3)n12
InChIInChI=1S/C14H14N4/c1-10(15)12-8-5-9-13-16-17-14(18(12)13)11-6-3-2-4-7-11/h2-10H,15H2,1H3
InChIKeyCWWGQQPQJOMLLT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.42
Rot. Bonds2

About 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine

1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine (PubChem CID 83871147) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
PubChem CID83871147
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
SMILESCC(N)c1cccc2nnc(-c3ccccc3)n12
InChIInChI=1S/C14H14N4/c1-10(15)12-8-5-9-13-16-17-14(18(12)13)11-6-3-2-4-7-11/h2-10H,15H2,1H3
InChIKeyCWWGQQPQJOMLLT-UHFFFAOYSA-N
XLogP2.42
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine?
The IUPAC name of 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine (CID 83871147) is 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine.
What is the SMILES notation for 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine?
The canonical SMILES for 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine is CC(N)c1cccc2nnc(-c3ccccc3)n12.
What is the InChIKey of 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine?
The InChIKey is CWWGQQPQJOMLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10(15)12-8-5-9-13-16-17-14(18(12)13)11-6-3-2-4-7-11/h2-10H,15H2,1H3.
What are the key properties of 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine?
1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine is sourced from PubChem (CID 83871147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).