4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid

C8H12N4O2 — CID 83831159

IUPAC4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1nccnn1
InChIInChI=1S/C8H12N4O2/c1-12(6-2-3-7(13)14)8-9-4-5-10-11-8/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyATCKBRHMNJVZEE-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.17
Rot. Bonds5

About 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid

4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid (PubChem CID 83831159) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid
PubChem CID83831159
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1nccnn1
InChIInChI=1S/C8H12N4O2/c1-12(6-2-3-7(13)14)8-9-4-5-10-11-8/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyATCKBRHMNJVZEE-UHFFFAOYSA-N
XLogP0.17
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid (CID 83831159) is 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid is CN(CCCC(=O)O)c1nccnn1.
What is the InChIKey of 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid?
The InChIKey is ATCKBRHMNJVZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-12(6-2-3-7(13)14)8-9-4-5-10-11-8/h4-5H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid?
4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1,2,4-triazin-3-yl)amino]butanoic acid is sourced from PubChem (CID 83831159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).