1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid

C12H21N5O3 — CID 103247086

IUPAC1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
SMILESCC(CN1CCOCC1)NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C12H21N5O3/c1-10(8-16-4-6-20-7-5-16)13-2-3-17-9-11(12(18)19)14-15-17/h9-10,13H,2-8H2,1H3,(H,18,19)
InChIKeyDADDKNSFNNRGIO-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.71
Rot. Bonds7

About 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid

1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid (PubChem CID 103247086) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
PubChem CID103247086
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
SMILESCC(CN1CCOCC1)NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C12H21N5O3/c1-10(8-16-4-6-20-7-5-16)13-2-3-17-9-11(12(18)19)14-15-17/h9-10,13H,2-8H2,1H3,(H,18,19)
InChIKeyDADDKNSFNNRGIO-UHFFFAOYSA-N
XLogP-0.71
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid
CID 103260834
1-[2-(4-methylsulfanylbutan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103265843
1-[2-(hexan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103248347
1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid
CID 102549146
1-[2-(pentan-3-ylamino)ethyl]triazole-4-carboxylic acid
CID 103231103
1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103256503
1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]triazole-4-carboxylic acid
CID 103246248
1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103251827
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103248670
1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500149
1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103246680

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid (CID 103247086) is 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid is CC(CN1CCOCC1)NCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid?
The InChIKey is DADDKNSFNNRGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-10(8-16-4-6-20-7-5-16)13-2-3-17-9-11(12(18)19)14-15-17/h9-10,13H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid?
1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103247086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).