1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid

C10H16N4O3 — CID 55029465

IUPAC1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCCNC(=O)Cn1nnc(C(=O)O)c1C(C)C
InChIInChI=1S/C10H16N4O3/c1-4-11-7(15)5-14-9(6(2)3)8(10(16)17)12-13-14/h6H,4-5H2,1-3H3,(H,11,15)(H,16,17)
InChIKeyFSJUBXYZRYNWHH-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.24
Rot. Bonds5

About 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid

1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid (PubChem CID 55029465) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid
PubChem CID55029465
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCCNC(=O)Cn1nnc(C(=O)O)c1C(C)C
InChIInChI=1S/C10H16N4O3/c1-4-11-7(15)5-14-9(6(2)3)8(10(16)17)12-13-14/h6H,4-5H2,1-3H3,(H,11,15)(H,16,17)
InChIKeyFSJUBXYZRYNWHH-UHFFFAOYSA-N
XLogP0.24
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid (CID 55029465) is 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid is CCNC(=O)Cn1nnc(C(=O)O)c1C(C)C.
What is the InChIKey of 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The InChIKey is FSJUBXYZRYNWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-11-7(15)5-14-9(6(2)3)8(10(16)17)12-13-14/h6H,4-5H2,1-3H3,(H,11,15)(H,16,17).
What are the key properties of 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid?
1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 55029465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).