2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid

C10H13N3O3 — CID 105480301

IUPAC2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
SMILESO=C(O)Cc1nncc(C2CCCCO2)n1
InChIInChI=1S/C10H13N3O3/c14-10(15)5-9-12-7(6-11-13-9)8-3-1-2-4-16-8/h6,8H,1-5H2,(H,14,15)
InChIKeyZPLTUUCLQTZDAI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.74
Rot. Bonds3

About 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid

2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid (PubChem CID 105480301) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
PubChem CID105480301
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
SMILESO=C(O)Cc1nncc(C2CCCCO2)n1
InChIInChI=1S/C10H13N3O3/c14-10(15)5-9-12-7(6-11-13-9)8-3-1-2-4-16-8/h6,8H,1-5H2,(H,14,15)
InChIKeyZPLTUUCLQTZDAI-UHFFFAOYSA-N
XLogP0.74
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine
CID 105479389
2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027246
2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide
CID 170756134
2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid
CID 146417244
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62212778
3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 115044288
2-[[2-methyl-5-(oxan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 104602393
6-[(2R)-oxolan-2-yl]pyridine-3-carboxamide
CID 135030167
2-[4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]phenyl]acetic acid
CID 82195563
2-(oxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134338
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 115027230

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid?
The IUPAC name of 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid (CID 105480301) is 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid is O=C(O)Cc1nncc(C2CCCCO2)n1.
What is the InChIKey of 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid?
The InChIKey is ZPLTUUCLQTZDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-10(15)5-9-12-7(6-11-13-9)8-3-1-2-4-16-8/h6,8H,1-5H2,(H,14,15).
What are the key properties of 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid?
2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid is sourced from PubChem (CID 105480301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).