3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline

C15H16N4 — CID 82058656

IUPAC3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
SMILESCc1ccc2nnc(CCc3cccc(N)c3)n2c1
InChIInChI=1S/C15H16N4/c1-11-5-7-14-17-18-15(19(14)10-11)8-6-12-3-2-4-13(16)9-12/h2-5,7,9-10H,6,8,16H2,1H3
InChIKeySRPONGUUTAJTSB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.41
Rot. Bonds3

About 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline

3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline (PubChem CID 82058656) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
PubChem CID82058656
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
SMILESCc1ccc2nnc(CCc3cccc(N)c3)n2c1
InChIInChI=1S/C15H16N4/c1-11-5-7-14-17-18-15(19(14)10-11)8-6-12-3-2-4-13(16)9-12/h2-5,7,9-10H,6,8,16H2,1H3
InChIKeySRPONGUUTAJTSB-UHFFFAOYSA-N
XLogP2.41
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline?
The IUPAC name of 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline (CID 82058656) is 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline is Cc1ccc2nnc(CCc3cccc(N)c3)n2c1.
What is the InChIKey of 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline?
The InChIKey is SRPONGUUTAJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-5-7-14-17-18-15(19(14)10-11)8-6-12-3-2-4-13(16)9-12/h2-5,7,9-10H,6,8,16H2,1H3.
What are the key properties of 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline?
3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline has a molecular weight of 252.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline is sourced from PubChem (CID 82058656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).