1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid

C10H16N4O3 — CID 82753610

IUPAC1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)nn1)C1CCOC1
InChIInChI=1S/C10H16N4O3/c1-13(8-2-5-17-7-8)3-4-14-6-9(10(15)16)11-12-14/h6,8H,2-5,7H2,1H3,(H,15,16)
InChIKeyXUBYWCVJQGRZQD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.30
Rot. Bonds5

About 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 82753610) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID82753610
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)nn1)C1CCOC1
InChIInChI=1S/C10H16N4O3/c1-13(8-2-5-17-7-8)3-4-14-6-9(10(15)16)11-12-14/h6,8H,2-5,7H2,1H3,(H,15,16)
InChIKeyXUBYWCVJQGRZQD-UHFFFAOYSA-N
XLogP-0.30
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
CID 63711885
1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]triazole-4-carboxylic acid
CID 114950235
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-[2-(oxan-4-ylsulfonyl)ethyl]triazole-4-carboxylic acid
CID 62996048
1-[2-(4-hydroxy-N-methylanilino)ethyl]triazole-4-carboxylic acid
CID 62254735
1-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
CID 43564382
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61442683
1-[2-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]triazole-4-carboxylic acid
CID 114133017
1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61418872
3-[[methyl(oxolan-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 82742607
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid
CID 43544795

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid (CID 82753610) is 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid is CN(CCn1cc(C(=O)O)nn1)C1CCOC1.
What is the InChIKey of 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is XUBYWCVJQGRZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13(8-2-5-17-7-8)3-4-14-6-9(10(15)16)11-12-14/h6,8H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(oxolan-3-yl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 82753610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).