N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

C12H17N5O3 — CID 112530727

IUPACN-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn(CC(=O)N2CCC(O)C2)nn1)C1CC1
InChIInChI=1S/C12H17N5O3/c18-9-3-4-16(5-9)11(19)7-17-6-10(14-15-17)13-12(20)8-1-2-8/h6,8-9,18H,1-5,7H2,(H,13,20)
InChIKeyMXTNKZKABYGOCO-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.78
Rot. Bonds4

About N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (PubChem CID 112530727) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
PubChem CID112530727
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn(CC(=O)N2CCC(O)C2)nn1)C1CC1
InChIInChI=1S/C12H17N5O3/c18-9-3-4-16(5-9)11(19)7-17-6-10(14-15-17)13-12(20)8-1-2-8/h6,8-9,18H,1-5,7H2,(H,13,20)
InChIKeyMXTNKZKABYGOCO-UHFFFAOYSA-N
XLogP-0.78
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530725
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531418
N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
CID 112530434
N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527934
2-(4-aminotriazol-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 112531193
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391
N-[1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531833
N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504
1-[2-[4-(methylcarbamoyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289534
N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
CID 112531894
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 113314176

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (CID 112530727) is N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is O=C(Nc1cn(CC(=O)N2CCC(O)C2)nn1)C1CC1.
What is the InChIKey of N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The InChIKey is MXTNKZKABYGOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c18-9-3-4-16(5-9)11(19)7-17-6-10(14-15-17)13-12(20)8-1-2-8/h6,8-9,18H,1-5,7H2,(H,13,20).
What are the key properties of N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide has a molecular weight of 279.30 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112530727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).