1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid

C10H16N4O3 — CID 102549146

IUPAC1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid
SMILESCC(Cn1cc(C(=O)O)nn1)N1CCOCC1
InChIInChI=1S/C10H16N4O3/c1-8(13-2-4-17-5-3-13)6-14-7-9(10(15)16)11-12-14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyWPQZUJFYTZMUGI-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.30
Rot. Bonds4

About 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid

1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid (PubChem CID 102549146) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid
PubChem CID102549146
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid
SMILESCC(Cn1cc(C(=O)O)nn1)N1CCOCC1
InChIInChI=1S/C10H16N4O3/c1-8(13-2-4-17-5-3-13)6-14-7-9(10(15)16)11-12-14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyWPQZUJFYTZMUGI-UHFFFAOYSA-N
XLogP-0.30
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid
CID 102549144
1-[2-(azepan-1-yl)propyl]triazole-4-carboxylic acid
CID 102549148
1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103247086
1-(2-methylbutyl)triazole-4-carboxylic acid
CID 62103315
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 43592179
1-(2-ethylhexyl)triazole-4-carboxylic acid
CID 62060083
1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
CID 63711885
1-[2-(3-methylbutylsulfinyl)ethyl]triazole-4-carboxylic acid
CID 107753399
1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid
CID 103161001
1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]triazole-4-carboxylic acid
CID 114950235
2-methyl-1-[1-(2-methylpropyl)triazol-4-yl]propan-1-one
CID 130383213
1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63608693

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid (CID 102549146) is 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid is CC(Cn1cc(C(=O)O)nn1)N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid?
The InChIKey is WPQZUJFYTZMUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-8(13-2-4-17-5-3-13)6-14-7-9(10(15)16)11-12-14/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid?
1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid is sourced from PubChem (CID 102549146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).