1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid

C10H19N5O2 — CID 103260834

IUPAC1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid
SMILESCC(CN(C)C)NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H19N5O2/c1-8(6-14(2)3)11-4-5-15-7-9(10(16)17)12-13-15/h7-8,11H,4-6H2,1-3H3,(H,16,17)
InChIKeyPZDDKPDIWYFIMF-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.48
Rot. Bonds7

About 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid

1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid (PubChem CID 103260834) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid
PubChem CID103260834
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid
SMILESCC(CN(C)C)NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H19N5O2/c1-8(6-14(2)3)11-4-5-15-7-9(10(16)17)12-13-15/h7-8,11H,4-6H2,1-3H3,(H,16,17)
InChIKeyPZDDKPDIWYFIMF-UHFFFAOYSA-N
XLogP-0.48
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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-morpholin-4-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103247086
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
2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]triazol-1-yl]acetic acid
CID 82949755
1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103246680
1-[2-[3-(propan-2-ylamino)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 107500250

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid (CID 103260834) is 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid is CC(CN(C)C)NCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid?
The InChIKey is PZDDKPDIWYFIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-8(6-14(2)3)11-4-5-15-7-9(10(16)17)12-13-15/h7-8,11H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid?
1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)propan-2-ylamino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103260834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).