4-amino-3-(1,2,4-triazin-6-yl)butanoic acid

C7H10N4O2 — CID 83828480

IUPAC4-amino-3-(1,2,4-triazin-6-yl)butanoic acid
SMILESNCC(CC(=O)O)c1cncnn1
InChIInChI=1S/C7H10N4O2/c8-2-5(1-7(12)13)6-3-9-4-10-11-6/h3-5H,1-2,8H2,(H,12,13)
InChIKeyJDJVYHLOOBVYDQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.61
Rot. Bonds4

About 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid

4-amino-3-(1,2,4-triazin-6-yl)butanoic acid (PubChem CID 83828480) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(1,2,4-triazin-6-yl)butanoic acid
PubChem CID83828480
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name4-amino-3-(1,2,4-triazin-6-yl)butanoic acid
SMILESNCC(CC(=O)O)c1cncnn1
InChIInChI=1S/C7H10N4O2/c8-2-5(1-7(12)13)6-3-9-4-10-11-6/h3-5H,1-2,8H2,(H,12,13)
InChIKeyJDJVYHLOOBVYDQ-UHFFFAOYSA-N
XLogP-0.61
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid?
The IUPAC name of 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid (CID 83828480) is 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid is NCC(CC(=O)O)c1cncnn1.
What is the InChIKey of 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid?
The InChIKey is JDJVYHLOOBVYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-2-5(1-7(12)13)6-3-9-4-10-11-6/h3-5H,1-2,8H2,(H,12,13).
What are the key properties of 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid?
4-amino-3-(1,2,4-triazin-6-yl)butanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,2,4-triazin-6-yl)butanoic acid is sourced from PubChem (CID 83828480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).