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

C6H8N4O2 — CID 83827021

IUPAC3-(1,2,4-triazin-3-ylamino)propanoic acid
SMILESO=C(O)CCNc1nccnn1
InChIInChI=1S/C6H8N4O2/c11-5(12)1-2-7-6-8-3-4-9-10-6/h3-4H,1-2H2,(H,11,12)(H,7,8,10)
InChIKeyFDTBXMRQHWQHTK-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.24
Rot. Bonds4

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

3-(1,2,4-triazin-3-ylamino)propanoic acid (PubChem CID 83827021) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-(1,2,4-triazin-3-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,2,4-triazin-3-ylamino)propanoic acid
PubChem CID83827021
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name3-(1,2,4-triazin-3-ylamino)propanoic acid
SMILESO=C(O)CCNc1nccnn1
InChIInChI=1S/C6H8N4O2/c11-5(12)1-2-7-6-8-3-4-9-10-6/h3-4H,1-2H2,(H,11,12)(H,7,8,10)
InChIKeyFDTBXMRQHWQHTK-UHFFFAOYSA-N
XLogP-0.24
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.24
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)propanoic acid?
The IUPAC name of 3-(1,2,4-triazin-3-ylamino)propanoic acid (CID 83827021) is 3-(1,2,4-triazin-3-ylamino)propanoic acid.
What is the SMILES notation for 3-(1,2,4-triazin-3-ylamino)propanoic acid?
The canonical SMILES for 3-(1,2,4-triazin-3-ylamino)propanoic acid is O=C(O)CCNc1nccnn1.
What is the InChIKey of 3-(1,2,4-triazin-3-ylamino)propanoic acid?
The InChIKey is FDTBXMRQHWQHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c11-5(12)1-2-7-6-8-3-4-9-10-6/h3-4H,1-2H2,(H,11,12)(H,7,8,10).
What are the key properties of 3-(1,2,4-triazin-3-ylamino)propanoic acid?
3-(1,2,4-triazin-3-ylamino)propanoic acid has a molecular weight of 168.16 g/mol, XLogP of -0.24, 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)propanoic acid is sourced from PubChem (CID 83827021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).