5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid

C8H12N4O4 — CID 83095033

IUPAC5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid
SMILESCOc1n[nH]c(NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C8H12N4O4/c1-16-8-10-7(11-12-8)9-5(13)3-2-4-6(14)15/h2-4H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKeyKPCZVQWSAODEEX-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.01
Rot. Bonds6

About 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid

5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid (PubChem CID 83095033) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid
PubChem CID83095033
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid
SMILESCOc1n[nH]c(NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C8H12N4O4/c1-16-8-10-7(11-12-8)9-5(13)3-2-4-6(14)15/h2-4H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKeyKPCZVQWSAODEEX-UHFFFAOYSA-N
XLogP0.01
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid (CID 83095033) is 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid is COc1n[nH]c(NC(=O)CCCC(=O)O)n1.
What is the InChIKey of 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid?
The InChIKey is KPCZVQWSAODEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-16-8-10-7(11-12-8)9-5(13)3-2-4-6(14)15/h2-4H2,1H3,(H,14,15)(H2,9,10,11,12,13).
What are the key properties of 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid?
5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid has a molecular weight of 228.21 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 83095033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).