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

C6H8N4O2 — CID 83827024

IUPAC2-amino-3-(1,2,4-triazin-6-yl)propanoic acid
SMILESNC(Cc1cncnn1)C(=O)O
InChIInChI=1S/C6H8N4O2/c7-5(6(11)12)1-4-2-8-3-9-10-4/h2-3,5H,1,7H2,(H,11,12)
InChIKeyQLEWCRKSIKZVCG-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.17
Rot. Bonds3

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

2-amino-3-(1,2,4-triazin-6-yl)propanoic acid (PubChem CID 83827024) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,2,4-triazin-6-yl)propanoic acid
PubChem CID83827024
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name2-amino-3-(1,2,4-triazin-6-yl)propanoic acid
SMILESNC(Cc1cncnn1)C(=O)O
InChIInChI=1S/C6H8N4O2/c7-5(6(11)12)1-4-2-8-3-9-10-4/h2-3,5H,1,7H2,(H,11,12)
InChIKeyQLEWCRKSIKZVCG-UHFFFAOYSA-N
XLogP-1.17
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid
CID 83831468
(2S)-2-amino-3-(oxadiazol-5-yl)propanoic acid
CID 69085680
2,2-dimethyl-3-(1,2,4-triazin-6-yl)propanoic acid
CID 160583662
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(2S)-2-amino-3-[1-(2-(18F)fluoroethyl)triazol-4-yl]propanoic acid;hydrochloride
CID 46944244
2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 174499457
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid (CID 83827024) is 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid is NC(Cc1cncnn1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid?
The InChIKey is QLEWCRKSIKZVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-5(6(11)12)1-4-2-8-3-9-10-4/h2-3,5H,1,7H2,(H,11,12).
What are the key properties of 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid?
2-amino-3-(1,2,4-triazin-6-yl)propanoic acid has a molecular weight of 168.16 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2,4-triazin-6-yl)propanoic acid is sourced from PubChem (CID 83827024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).