5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H14N4 — CID 155519426

IUPAC5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccc(-c2cccc3nc(N)nn23)c1C
InChIInChI=1S/C14H14N4/c1-9-5-3-6-11(10(9)2)12-7-4-8-13-16-14(15)17-18(12)13/h3-8H,1-2H3,(H2,15,17)
InChIKeyPSFKDWBPZFTDND-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.60
Rot. Bonds1

About 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 155519426) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID155519426
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccc(-c2cccc3nc(N)nn23)c1C
InChIInChI=1S/C14H14N4/c1-9-5-3-6-11(10(9)2)12-7-4-8-13-16-14(15)17-18(12)13/h3-8H,1-2H3,(H2,15,17)
InChIKeyPSFKDWBPZFTDND-UHFFFAOYSA-N
XLogP2.60
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 155519426) is 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cccc(-c2cccc3nc(N)nn23)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PSFKDWBPZFTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-5-3-6-11(10(9)2)12-7-4-8-13-16-14(15)17-18(12)13/h3-8H,1-2H3,(H2,15,17).
What are the key properties of 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155519426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).