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

C9H14N4O3 — CID 29082618

IUPAC1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C9H14N4O3/c14-9(15)8-7-13(11-10-8)2-1-12-3-5-16-6-4-12/h7H,1-6H2,(H,14,15)
InChIKeyKZISLBUJFANQNO-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.69
Rot. Bonds4

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

1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid (PubChem CID 29082618) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
PubChem CID29082618
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C9H14N4O3/c14-9(15)8-7-13(11-10-8)2-1-12-3-5-16-6-4-12/h7H,1-6H2,(H,14,15)
InChIKeyKZISLBUJFANQNO-UHFFFAOYSA-N
XLogP-0.69
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 43592179
1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103247086
1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid
CID 102549146
[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone
CID 167907415
1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide
CID 167985130
1-[2-(oxan-4-ylsulfonyl)ethyl]triazole-4-carboxylic acid
CID 62996048
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 61220921
1-[2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]triazole-4-carboxylic acid
CID 113399291
1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide
CID 74229926
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63608693
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 29082664

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid (CID 29082618) is 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid is O=C(O)c1cn(CCN2CCOCC2)nn1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid?
The InChIKey is KZISLBUJFANQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-9(15)8-7-13(11-10-8)2-1-12-3-5-16-6-4-12/h7H,1-6H2,(H,14,15).
What are the key properties of 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid?
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of -0.69, 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-ylethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 29082618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).