5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid

C11H16N4O3 — CID 62326659

IUPAC5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid
SMILESCCNC(=O)CCn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C11H16N4O3/c1-2-12-8(16)5-6-15-10(7-3-4-7)9(11(17)18)13-14-15/h7H,2-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyZPXKJZCBNKTMBX-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.38
Rot. Bonds6

About 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid

5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid (PubChem CID 62326659) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid
PubChem CID62326659
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid
SMILESCCNC(=O)CCn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C11H16N4O3/c1-2-12-8(16)5-6-15-10(7-3-4-7)9(11(17)18)13-14-15/h7H,2-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyZPXKJZCBNKTMBX-UHFFFAOYSA-N
XLogP0.38
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid (CID 62326659) is 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid is CCNC(=O)CCn1nnc(C(=O)O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid?
The InChIKey is ZPXKJZCBNKTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-12-8(16)5-6-15-10(7-3-4-7)9(11(17)18)13-14-15/h7H,2-6H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid?
5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62326659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).