3-(1,2,4-triazin-3-ylamino)butanoic acid

C7H10N4O2 — CID 83828477

IUPAC3-(1,2,4-triazin-3-ylamino)butanoic acid
SMILESCC(CC(=O)O)Nc1nccnn1
InChIInChI=1S/C7H10N4O2/c1-5(4-6(12)13)10-7-8-2-3-9-11-7/h2-3,5H,4H2,1H3,(H,12,13)(H,8,10,11)
InChIKeyXGFZOPCGGPHBLO-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.15
Rot. Bonds4

About 3-(1,2,4-triazin-3-ylamino)butanoic acid

3-(1,2,4-triazin-3-ylamino)butanoic acid (PubChem CID 83828477) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(1,2,4-triazin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name3-(1,2,4-triazin-3-ylamino)butanoic acid
PubChem CID83828477
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-(1,2,4-triazin-3-ylamino)butanoic acid
SMILESCC(CC(=O)O)Nc1nccnn1
InChIInChI=1S/C7H10N4O2/c1-5(4-6(12)13)10-7-8-2-3-9-11-7/h2-3,5H,4H2,1H3,(H,12,13)(H,8,10,11)
InChIKeyXGFZOPCGGPHBLO-UHFFFAOYSA-N
XLogP0.15
TPSA88.00 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 ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazin-3-ylamino)butanoic acid?
The IUPAC name of 3-(1,2,4-triazin-3-ylamino)butanoic acid (CID 83828477) is 3-(1,2,4-triazin-3-ylamino)butanoic acid.
What is the SMILES notation for 3-(1,2,4-triazin-3-ylamino)butanoic acid?
The canonical SMILES for 3-(1,2,4-triazin-3-ylamino)butanoic acid is CC(CC(=O)O)Nc1nccnn1.
What is the InChIKey of 3-(1,2,4-triazin-3-ylamino)butanoic acid?
The InChIKey is XGFZOPCGGPHBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-5(4-6(12)13)10-7-8-2-3-9-11-7/h2-3,5H,4H2,1H3,(H,12,13)(H,8,10,11).
What are the key properties of 3-(1,2,4-triazin-3-ylamino)butanoic acid?
3-(1,2,4-triazin-3-ylamino)butanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazin-3-ylamino)butanoic acid is sourced from PubChem (CID 83828477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).