1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid

C10H16N4O3 — CID 103268366

IUPAC1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNCC2(O)CCC2)nn1
InChIInChI=1S/C10H16N4O3/c15-9(16)8-6-14(13-12-8)5-4-11-7-10(17)2-1-3-10/h6,11,17H,1-5,7H2,(H,15,16)
InChIKeyZFYDXFRJGBSJQT-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.52
Rot. Bonds6

About 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid

1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid (PubChem CID 103268366) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid
PubChem CID103268366
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNCC2(O)CCC2)nn1
InChIInChI=1S/C10H16N4O3/c15-9(16)8-6-14(13-12-8)5-4-11-7-10(17)2-1-3-10/h6,11,17H,1-5,7H2,(H,15,16)
InChIKeyZFYDXFRJGBSJQT-UHFFFAOYSA-N
XLogP-0.52
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 103253419
1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 114126015
1-[2-(3-hydroxypropylamino)ethyl]triazole-4-carboxylic acid
CID 103238187
1-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 103256339
1-[2-[(2-methylcyclopentyl)amino]ethyl]triazole-4-carboxylic acid
CID 103251315
1-[2-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 114133017
1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid
CID 83020136
1-[2-[2-[ethyl(methyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 103249170
1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103243863
1-[2-(2-imidazol-1-ylethylamino)ethyl]triazole-4-carboxylic acid
CID 103247747
1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500149
1-[2-[(2-ethoxy-2-oxoethyl)amino]ethyl]triazole-4-carboxylic acid
CID 103239565

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid (CID 103268366) is 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid is O=C(O)c1cn(CCNCC2(O)CCC2)nn1.
What is the InChIKey of 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid?
The InChIKey is ZFYDXFRJGBSJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-9(16)8-6-14(13-12-8)5-4-11-7-10(17)2-1-3-10/h6,11,17H,1-5,7H2,(H,15,16).
What are the key properties of 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid?
1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103268366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).