methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate

C6H9N3O4 — CID 171863476

IUPACmethyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1ncn[nH]1
InChIInChI=1S/C6H9N3O4/c1-13-6(12)4(11)3(10)5-7-2-8-9-5/h2-4,10-11H,1H3,(H,7,8,9)
InChIKeyAGCVIJCJXSCGDN-UHFFFAOYSA-N
MW187.16 g/mol
LogP-1.63
Rot. Bonds3

About methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate

methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate (PubChem CID 171863476) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate
PubChem CID171863476
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Namemethyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1ncn[nH]1
InChIInChI=1S/C6H9N3O4/c1-13-6(12)4(11)3(10)5-7-2-8-9-5/h2-4,10-11H,1H3,(H,7,8,9)
InChIKeyAGCVIJCJXSCGDN-UHFFFAOYSA-N
XLogP-1.63
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate 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

methyl 3,4-dihydroxy-4-(1H-1,2,4-triazol-5-yl)butanoate
CID 171894981
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
CID 171863485
2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408
3-bromo-1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 171859372
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
CID 171864430
1-(1H-1,2,4-triazol-5-yl)pentylurea
CID 175608881
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
3-chloro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282499

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate (CID 171863476) is methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate is COC(=O)C(O)C(O)c1ncn[nH]1.
What is the InChIKey of methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate?
The InChIKey is AGCVIJCJXSCGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c1-13-6(12)4(11)3(10)5-7-2-8-9-5/h2-4,10-11H,1H3,(H,7,8,9).
What are the key properties of methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate?
methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate has a molecular weight of 187.16 g/mol, XLogP of -1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate is sourced from PubChem (CID 171863476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).