3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid

C9H11N5O3 — CID 81077970

IUPAC3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
SMILESCOCC(Nc1nccn2cnnc12)C(=O)O
InChIInChI=1S/C9H11N5O3/c1-17-4-6(9(15)16)12-7-8-13-11-5-14(8)3-2-10-7/h2-3,5-6H,4H2,1H3,(H,10,12)(H,15,16)
InChIKeyPSMWBODZXFIXRS-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.36
Rot. Bonds5

About 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid

3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid (PubChem CID 81077970) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
PubChem CID81077970
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
SMILESCOCC(Nc1nccn2cnnc12)C(=O)O
InChIInChI=1S/C9H11N5O3/c1-17-4-6(9(15)16)12-7-8-13-11-5-14(8)3-2-10-7/h2-3,5-6H,4H2,1H3,(H,10,12)(H,15,16)
InChIKeyPSMWBODZXFIXRS-UHFFFAOYSA-N
XLogP-0.36
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid (CID 81077970) is 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid is COCC(Nc1nccn2cnnc12)C(=O)O.
What is the InChIKey of 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid?
The InChIKey is PSMWBODZXFIXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-17-4-6(9(15)16)12-7-8-13-11-5-14(8)3-2-10-7/h2-3,5-6H,4H2,1H3,(H,10,12)(H,15,16).
What are the key properties of 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid?
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid has a molecular weight of 237.22 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid is sourced from PubChem (CID 81077970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).