3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid

C13H18N4O2 — CID 65226758

IUPAC3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
SMILESCc1cc(NCC(C(=O)O)C(C)C)n2ncnc2c1
InChIInChI=1S/C13H18N4O2/c1-8(2)10(13(18)19)6-14-11-4-9(3)5-12-15-7-16-17(11)12/h4-5,7-8,10,14H,6H2,1-3H3,(H,18,19)
InChIKeyUGBWCICBHYUMIA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.81
Rot. Bonds5

About 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid

3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid (PubChem CID 65226758) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
PubChem CID65226758
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
SMILESCc1cc(NCC(C(=O)O)C(C)C)n2ncnc2c1
InChIInChI=1S/C13H18N4O2/c1-8(2)10(13(18)19)6-14-11-4-9(3)5-12-15-7-16-17(11)12/h4-5,7-8,10,14H,6H2,1-3H3,(H,18,19)
InChIKeyUGBWCICBHYUMIA-UHFFFAOYSA-N
XLogP1.81
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid (CID 65226758) is 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid is Cc1cc(NCC(C(=O)O)C(C)C)n2ncnc2c1.
What is the InChIKey of 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid?
The InChIKey is UGBWCICBHYUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)10(13(18)19)6-14-11-4-9(3)5-12-15-7-16-17(11)12/h4-5,7-8,10,14H,6H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid?
3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65226758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).