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

C11H17N5O3 — CID 112530725

IUPACN-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CCC(O)C2)nn1
InChIInChI=1S/C11H17N5O3/c1-2-10(18)12-9-6-16(14-13-9)7-11(19)15-4-3-8(17)5-15/h6,8,17H,2-5,7H2,1H3,(H,12,18)
InChIKeyDMJBYAWWNUFSPN-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.78
Rot. Bonds4

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

N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112530725) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112530725
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC NameN-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CCC(O)C2)nn1
InChIInChI=1S/C11H17N5O3/c1-2-10(18)12-9-6-16(14-13-9)7-11(19)15-4-3-8(17)5-15/h6,8,17H,2-5,7H2,1H3,(H,12,18)
InChIKeyDMJBYAWWNUFSPN-UHFFFAOYSA-N
XLogP-0.78
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112530727
N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
CID 112530434
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531418
N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
CID 112531894
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-[1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531833
2-(4-aminotriazol-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 112531193
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112532196
N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504
ethyl N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112530396
2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530400

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide (CID 112530725) is N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)N2CCC(O)C2)nn1.
What is the InChIKey of N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is DMJBYAWWNUFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-10(18)12-9-6-16(14-13-9)7-11(19)15-4-3-8(17)5-15/h6,8,17H,2-5,7H2,1H3,(H,12,18).
What are the key properties of N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 267.29 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]propanamide is sourced from PubChem (CID 112530725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).