1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid

C10H15N5O4 — CID 107500251

IUPAC1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)C2CNCCO2)nn1
InChIInChI=1S/C10H15N5O4/c16-9(8-5-11-2-4-19-8)12-1-3-15-6-7(10(17)18)13-14-15/h6,8,11H,1-5H2,(H,12,16)(H,17,18)
InChIKeyCLTLMOMVKSMLHG-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.92
Rot. Bonds5

About 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid

1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid (PubChem CID 107500251) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid
PubChem CID107500251
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)C2CNCCO2)nn1
InChIInChI=1S/C10H15N5O4/c16-9(8-5-11-2-4-19-8)12-1-3-15-6-7(10(17)18)13-14-15/h6,8,11H,1-5H2,(H,12,16)(H,17,18)
InChIKeyCLTLMOMVKSMLHG-UHFFFAOYSA-N
XLogP-1.92
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119851040
2-(morpholine-2-carbonylamino)ethyl carbamate
CID 83210560
2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid
CID 107836026
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
1-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]triazole-4-carboxylic acid
CID 66290153
N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-2-carboxamide
CID 112701632
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride
CID 119851357
N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 154894688
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648

Frequently Asked Questions

What is the IUPAC name of 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid (CID 107500251) is 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid is O=C(O)c1cn(CCNC(=O)C2CNCCO2)nn1.
What is the InChIKey of 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid?
The InChIKey is CLTLMOMVKSMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c16-9(8-5-11-2-4-19-8)12-1-3-15-6-7(10(17)18)13-14-15/h6,8,11H,1-5H2,(H,12,16)(H,17,18).
What are the key properties of 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid?
1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(morpholine-2-carbonylamino)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 107500251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).